From: Alexey Shvetsov Date: Sun, 14 Jul 2013 11:10:24 +0000 (+0400) Subject: nonbonded and nb_kernel_c: clean up -Wunused-parameter warnings X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=35cc61289ba479c3b45ee237276cd747fb7cf12e;p=alexxy%2Fgromacs.git nonbonded and nb_kernel_c: clean up -Wunused-parameter warnings Clean up (most) of unused params Change-Id: I75cd722907de96082295dd119217b7b5fea13b19 Signed-off-by: Alexey Shvetsov --- diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel.c b/src/gromacs/gmxlib/nonbonded/nb_kernel.c index e8701f6046..6b97d1cd2d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel.c @@ -116,7 +116,7 @@ nb_kernel_list_hash_destroy() nb_kernel_t * -nb_kernel_list_findkernel(FILE * log, +nb_kernel_list_findkernel(FILE gmx_unused * log, const char * arch, const char * electrostatics, const char * electrostatics_modifier, diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c index 275d263b57..865a112e84 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -250,13 +266,13 @@ nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecCSTab_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c index 3e5637bcf6..e131623760 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -379,13 +395,13 @@ nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c */ void nb_kernel_ElecCSTab_VdwBham_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c index bedb2daef9..029247358e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -675,13 +691,13 @@ nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c */ void nb_kernel_ElecCSTab_VdwBham_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c index b67559b7fa..bda9c015f0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -423,13 +439,13 @@ nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c */ void nb_kernel_ElecCSTab_VdwBham_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c index d390156db0..e9ade846d0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -723,13 +739,13 @@ nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c */ void nb_kernel_ElecCSTab_VdwBham_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c index 88133b621a..5d2c1d0797 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -264,13 +280,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c index a8fba8866c..e9f33d5830 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -393,13 +409,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c index 37aa05e050..15ac6a6e0a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -689,13 +705,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c index df7e3a3441..955749a337 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -443,13 +459,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c index 1053c44b7b..144187c978 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -743,13 +759,13 @@ nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c */ void nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c index 728bd366c8..69ad64dd0a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -249,13 +265,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c index af2ce59510..c5b243d06f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -378,13 +394,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c index 783f344d86..6f62f94a33 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -674,13 +690,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c */ void nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c index fb6311982f..825e855318 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -419,13 +435,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c index 9fdb74a9e4..ba35b25d34 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -719,13 +735,13 @@ nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c */ void nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c index f63c3910b6..956423368a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -225,13 +241,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c index ed5660ab4d..e1c9898b44 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -354,13 +370,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c index 9c29b163f6..6b6da2d6ed 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -650,13 +666,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c index eac60efd9f..8cb68ffba0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -354,13 +370,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c index 94d76f9d8f..97139eaf72 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -650,13 +666,13 @@ nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c index f7be55203d..19292e0990 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -231,13 +247,13 @@ nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecCoul_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c index 32bdadae71..abbfdb1ee4 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -332,13 +348,13 @@ nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c */ void nb_kernel_ElecCoul_VdwBham_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c index 4fe9979915..1b47f2e109 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -544,13 +560,13 @@ nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c */ void nb_kernel_ElecCoul_VdwBham_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c index 03af0bb325..1d9262ce6e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -375,13 +391,13 @@ nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c */ void nb_kernel_ElecCoul_VdwBham_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c index 8274b81a55..42bd64dcec 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -591,13 +607,13 @@ nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c */ void nb_kernel_ElecCoul_VdwBham_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c index 7c2f3afa42..3b19c0bca2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -259,13 +275,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c index c1bcc9dcc5..c6351f12a7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -360,13 +376,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c index c35520ac70..2b5d50cb59 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -572,13 +588,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c */ void nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c index 1db36d0d53..d84150a0d3 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -402,13 +418,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c index d921bcad81..d08d25b7e5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -618,13 +634,13 @@ nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c */ void nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c index f256bcf67d..0af4491069 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -228,13 +244,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c index a04f56e5cb..053ebe7950 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -329,13 +345,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c */ void nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c index fdbe63fa14..534c4e6ebb 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -541,13 +557,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c */ void nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c index a51c687f0a..034c0f5d4a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -371,13 +387,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c */ void nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c index b78968cf7c..5918331055 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -587,13 +603,13 @@ nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c */ void nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c index 36bef38c2e..45414f38b4 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -206,13 +222,13 @@ nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c index 892270f471..78e65fb20f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -307,13 +323,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c index 81b1831ffd..49bbeabe09 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -519,13 +535,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c index ebb7ac0ebf..166dea2834 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -307,13 +323,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c index cb255fc20a..83a60fc8a3 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -519,13 +535,13 @@ nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c index 16f6b234c2..20d96ca544 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -258,13 +274,13 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c index 956f68d0c4..ccebc716b6 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -387,13 +403,13 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c index 249d2b893e..f3b0e5091b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -683,13 +699,13 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c index c3619b7024..f425e53567 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -437,13 +453,13 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c index bfe65ef78d..055853505e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -737,13 +753,13 @@ nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c */ void nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c index 88c102fcb2..6ff8d0f772 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -257,13 +273,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c */ void nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c index 6cd740fd70..4e3a43ab4b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -386,13 +402,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c index 9cdb942978..2cea4e22b3 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -682,13 +698,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c index 3e872574b0..6598deff43 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -433,13 +449,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c index 2cb43bdc6c..07e9ea3efa 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -733,13 +749,13 @@ nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c */ void nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c index 664442fb63..e96e31535b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -232,13 +248,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c index ab8259cdb3..62faefde7f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -361,13 +377,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c index ff0122b249..0712aa141d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -657,13 +673,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c index e760e22700..e475eb5b74 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -361,13 +377,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c index 6565b71966..6584a130d5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -657,13 +673,13 @@ nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c index a6355fc02f..1ef6c1338d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -280,13 +296,13 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c index 929fcb3c74..b7c5a19a82 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -433,13 +449,13 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c index d81ba8230b..24e05d92ca 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -801,13 +817,13 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c index a74856f513..2683616ed4 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -493,13 +509,13 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c index 72efffe030..6fe37c9269 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -865,13 +881,13 @@ nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c */ void nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c index 2778e51c27..7019becaa0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -279,13 +295,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c */ void nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c index 6b8bb55c35..37a1c55922 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -432,13 +448,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c index c3127b11b4..bb182c305d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -800,13 +816,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c index 4c67fca85e..59a4e81250 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -492,13 +508,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c index 002b30d61a..61cf4475bd 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -864,13 +880,13 @@ nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c */ void nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c index e9064bdcb6..083a2a382b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -255,13 +271,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c index 88c5b565aa..93347e3d79 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -408,13 +424,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c index 0ee3689742..f7cb9b4cc5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -776,13 +792,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c index e366295f00..80f5cb021a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -408,13 +424,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c index 9aaf4b804f..3a421eacae 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -776,13 +792,13 @@ nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c index a04671ae87..17967003ce 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -246,13 +262,13 @@ nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecEw_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c index 92aef65c83..bf24b40416 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -365,13 +381,13 @@ nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c */ void nb_kernel_ElecEw_VdwBham_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c index 984892f8e3..3456e8a0d8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -631,13 +647,13 @@ nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c */ void nb_kernel_ElecEw_VdwBham_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c index ff5f2801ef..fcf57e961e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -410,13 +426,13 @@ nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c */ void nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c index 1757d4414d..7e960e4b79 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwBham_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -680,13 +696,13 @@ nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c */ void nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c index ef19e9830a..e01b567961 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -274,13 +290,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c index c29e4cd473..c6143439ac 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -393,13 +409,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c */ void nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c index bfa6515153..2ed67eef06 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -659,13 +675,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c */ void nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c index 147fcda246..b67af0cb39 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -437,13 +453,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c */ void nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c index ad06f44dcb..f9bf419192 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -707,13 +723,13 @@ nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c */ void nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c index 83beeaf6ef..2652b99815 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -245,13 +261,13 @@ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c index 053a2f3c56..36b70bfdb3 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -364,13 +380,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c */ void nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c index 0697581338..30c10dcb90 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -630,13 +646,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c */ void nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c index 3c912edee2..6b42967a0e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -406,13 +422,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c */ void nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c index 0079058158..8dcc84d957 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwLJ_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -676,13 +692,13 @@ nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c */ void nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c index dcb565351e..4a9a7f46a7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -223,13 +239,13 @@ nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecEw_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c index 161a3352cf..c1f6ddef2b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -342,13 +358,13 @@ nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecEw_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c index 3e9e4ecde5..3d127142f4 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -608,13 +624,13 @@ nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecEw_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c index c6904776e0..782c2a331e 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -342,13 +358,13 @@ nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecEw_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c index 035931c623..d59492e2c9 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEw_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -608,13 +624,13 @@ nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecEw_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c index 46f83c13eb..287fa5fe48 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -276,13 +292,13 @@ nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecGB_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c index f75f104ad7..a0c486c252 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -299,13 +315,13 @@ nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c index 23ba2990df..cb0fa45447 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -275,13 +291,13 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c index 40fc35d61c..5acaa5aa30 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -251,13 +267,13 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecGB_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c index 97ce5781f2..45bd112a3b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -228,13 +244,13 @@ nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c index e3c51cf0a0..e4a6982e46 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -248,13 +264,13 @@ nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c index 434429e519..02325e8396 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -217,13 +233,13 @@ nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c index 9d7f4889fe..27157f943a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -243,13 +259,13 @@ nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c index d5b5b1d61f..d53475a18b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -223,13 +239,13 @@ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c index 752e34d113..7e5aa952be 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -247,13 +263,13 @@ nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c index 2e75940126..d5505abceb 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecNone_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -212,13 +228,13 @@ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c index 742e1230c7..041894721a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -246,13 +262,13 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c index 90d7032298..90746ecba2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -357,13 +373,13 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c index 83d23be997..0f187177e7 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -599,13 +615,13 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c index 82357426f9..20dc9a45aa 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -405,13 +421,13 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c index b93632a8a2..04158589ce 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -651,13 +667,13 @@ nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c index f2e61892c7..ebaefe37f2 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -266,13 +282,13 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c index dc0fddcfa5..91424b5a9c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -377,13 +393,13 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c index eb8408153b..bd783c94cf 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -619,13 +635,13 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c index 6857a6d598..347ec77c1b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -425,13 +441,13 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c index f962423657..9fed971581 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -671,13 +687,13 @@ nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c index 93b7f50ab0..8ce1722a26 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -271,13 +287,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c index 8c8900e970..1caa550c7c 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -382,13 +398,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c index ebe7f3c5a0..54471d0b7f 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -624,13 +640,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c index dc2c68ca4b..7d46c491c5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -424,13 +440,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c index 4345ef3ef0..ff9fd16905 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -675,13 +691,13 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c index 396f264b55..d0d6153593 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -243,13 +259,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c index 41e87fd5e0..0ca62829ad 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -354,13 +370,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c index c7d255b55a..84b320fe83 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -596,13 +612,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c index 3a290c409c..323be92e73 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -401,13 +417,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c index 7d23b9f99c..d2725d1f8b 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -647,13 +663,13 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c index 23d17b41ad..68b2dba1bb 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -265,13 +281,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c index ba5456d9e0..8d7a8dc7b0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -376,13 +392,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c index 8900cbc2b7..fbb930cbfa 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -618,13 +634,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c index c8d861e7d8..de608a5803 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -424,13 +440,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c index 8aed769631..ed6cfbac03 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -670,13 +686,13 @@ nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c index b200f3ae73..108674f551 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -218,13 +234,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c index c53d9648a5..bb20ec8d4d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -329,13 +345,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c index 8c8af55973..1784166d18 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -571,13 +587,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c index e8a4b2c54d..bcd4152888 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -329,13 +345,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c index 4f6c8d7e87..c1a5b74c84 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -571,13 +587,13 @@ nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c index 3af1e9de4d..907f018aa0 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -234,13 +250,13 @@ nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c */ void nb_kernel_ElecRF_VdwBham_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c index e59218cdbf..27d8da73e5 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -335,13 +351,13 @@ nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c */ void nb_kernel_ElecRF_VdwBham_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c index 848ef5c8c7..15c0f52063 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -547,13 +563,13 @@ nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c */ void nb_kernel_ElecRF_VdwBham_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c index c45c40862c..8405ba1157 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -378,13 +394,13 @@ nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c */ void nb_kernel_ElecRF_VdwBham_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c index 4ec58cccc2..4c5d00bd1a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwBham_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -594,13 +610,13 @@ nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c */ void nb_kernel_ElecRF_VdwBham_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c index 99470a0362..8ed2384136 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -262,13 +278,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c */ void nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c index 12abe865ea..226d7363b4 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -363,13 +379,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c */ void nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c index 18ed0d7662..0a07c09aea 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -575,13 +591,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c */ void nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c index 73ee6bb799..7c67fd4769 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -405,13 +421,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c */ void nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c index 72a31fef94..08243a7a8a 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -621,13 +637,13 @@ nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c */ void nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c index ca7e9b87cf..6e6db88562 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -231,13 +247,13 @@ nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c */ void nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c index 90fb09b8e3..1b57acc254 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -332,13 +348,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c */ void nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c index 0e3f3d1ee3..e3ad767204 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -544,13 +560,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c */ void nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c index 6cd471918f..5b3b4e38de 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -374,13 +390,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c */ void nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c index 5c90acb008..440f7f58e8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwLJ_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -590,13 +606,13 @@ nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c */ void nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c index 2f74aea88a..0ce5c00422 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomP1P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -209,13 +225,13 @@ nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c */ void nb_kernel_ElecRF_VdwNone_GeomP1P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c index ea3ce8bd05..7308eaae31 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -310,13 +326,13 @@ nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c */ void nb_kernel_ElecRF_VdwNone_GeomW3P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c index d8ae0cc2a5..8bda61e3f8 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW3W3_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -522,13 +538,13 @@ nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c */ void nb_kernel_ElecRF_VdwNone_GeomW3W3_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c index 9208f9f3c3..851fe0eeee 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4P1_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -310,13 +326,13 @@ nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c */ void nb_kernel_ElecRF_VdwNone_GeomW4P1_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c index 0a198f8e19..36bd70acdf 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRF_VdwNone_GeomW4W4_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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 @@ -39,13 +55,13 @@ */ void nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; @@ -522,13 +538,13 @@ nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c */ void nb_kernel_ElecRF_VdwNone_GeomW4W4_F_c - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { int i_shift_offset,i_coord_offset,j_coord_offset; int j_index_start,j_index_end; diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c index 0bf2a40107..4002452320 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.c @@ -232,7 +232,7 @@ setup_aadata(gmx_allvsall_data_t ** p_aadata, void -nb_kernel_allvsall(t_nblist * nlist, +nb_kernel_allvsall(t_nblist gmx_unused * nlist, rvec * xx, rvec * ff, t_forcerec * fr, diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c index c709ec6c60..fc0fee435d 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c @@ -233,7 +233,7 @@ setup_aadata(gmx_allvsall_data_t ** p_aadata, void -nb_kernel_allvsallgb(t_nblist * nlist, +nb_kernel_allvsallgb(t_nblist gmx_unused * nlist, rvec * xx, rvec * ff, t_forcerec * fr, diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c index 82a008c3c1..3d6ff12132 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c +++ b/src/gromacs/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) 2012,2013, by the GROMACS development team, led by + * David van der Spoel, Berk Hess, Erik Lindahl, and including many + * others, as listed in the AUTHORS file in the top-level source + * directory and at http://www.gromacs.org. * - * G R O M A C S + * GROMACS is free software; you can redistribute it and/or + * modify it under the terms of the GNU Lesser General Public License + * as published by the Free Software Foundation; either version 2.1 + * of the License, or (at your option) any later version. * - * Copyright (c) 2001-2012, The GROMACS Development Team + * GROMACS is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + * Lesser General Public License for more details. * - * Gromacs is a library for molecular simulation and trajectory analysis, - * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for - * a full list of developers and information, check out http://www.gromacs.org + * You should have received a copy of the GNU Lesser General Public + * License along with GROMACS; if not, see + * http://www.gnu.org/licenses, or write to the Free Software Foundation, + * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. * - * This program is free software; you can redistribute it and/or modify it under - * the terms of the GNU Lesser General Public License as published by the Free - * Software Foundation; either version 2 of the License, or (at your option) any - * later version. + * If you want to redistribute modifications to GROMACS, please + * consider that scientific software is very special. Version + * control is crucial - bugs must be traceable. We will be happy to + * consider code for inclusion in the official distribution, but + * derived work must not be called official GROMACS. Details are found + * in the README & COPYING files - if they are missing, get the + * official version at http://www.gromacs.org. * - * To help fund GROMACS development, we humbly ask that you cite - * the papers people have written on it - you can find them on the website. + * To help us fund GROMACS development, we humbly 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/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre index 9539aea211..62cb69f610 100644 --- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre +++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre @@ -80,13 +80,13 @@ */ void {KERNEL_NAME} - (t_nblist * gmx_restrict nlist, - rvec * gmx_restrict xx, - rvec * gmx_restrict ff, - t_forcerec * gmx_restrict fr, - t_mdatoms * gmx_restrict mdatoms, - nb_kernel_data_t * gmx_restrict kernel_data, - t_nrnb * gmx_restrict nrnb) + (t_nblist * gmx_restrict nlist, + rvec * gmx_restrict xx, + rvec * gmx_restrict ff, + t_forcerec * gmx_restrict fr, + t_mdatoms * gmx_restrict mdatoms, + nb_kernel_data_t gmx_unused * gmx_restrict kernel_data, + t_nrnb * gmx_restrict nrnb) { /* ## Not all variables are used for all kernels, but any optimizing compiler fixes that, */ /* ## so there is no point in going to extremes to exclude variables that are not needed. */