| 2004-04-28 |
lindahl | Test change to check new repository
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commit | commitdiff | tree |
| 2004-04-23 |
lindahl | Bumbed beta version
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commit | commitdiff | tree |
| 2004-03-01 |
lindahl | Fixed opls define
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commit | commitdiff | tree |
| 2004-03-01 |
lindahl | Fixed all-static configure option - it was always turned on.
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Removed old annealing illustration, it is no longer...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Changed function call to ed sampling due to make_edi...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | added make_edi to list of programs
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Added parallel stuff to ed sampling, contributed by...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Added changes from the make_edi program contributed...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Added make_edi program contributed by Oliver Lange...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Fixed compiler warnings in index.c, and documented...
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Fixed parsing of multiple annealing groups
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commit | commitdiff | tree |
| 2004-02-29 |
lindahl | Updated mdp doc, added new annealing selection and...
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commit | commitdiff | tree |
| 2004-02-03 |
lindahl | Removed CFLAGS when making mkinl, in case CC is not...
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commit | commitdiff | tree |
| 2004-02-01 |
lindahl | Rearranged code order to avoid an unnecessary copiler...
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commit | commitdiff | tree |
| 2004-02-01 |
lindahl | Added FF.dat back to the distribution, since we still...
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commit | commitdiff | tree |
| 2004-02-01 |
lindahl | Added return 0; statement to all wrapper binaries to...
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commit | commitdiff | tree |
| 2004-02-01 |
lindahl | Modified SSE code to work around AMD hardware problems...
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commit | commitdiff | tree |
| 2004-02-01 |
lindahl | Bumped version because of SSE fixes for AMD
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commit | commitdiff | tree |
| 2004-01-27 |
lindahl | Changed head branch of CVS back to 'beta' designation
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | *** empty log message ***
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Implemented optional manual ff selection
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added back choose_ff
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Changed comment for ffgmx2
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added back FF.dat to enable optional interactive selections
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Made grid error message more verbose, and added a separate...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added manuals for new programs
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added analysis header that used to be generated in...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added a new analysis program header instead of the...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Redhat now uses rpmbuild instead of rpm to build packages.
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Typo in version number; should be 3.2 instead of 3...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Removed the header created by the script. There is...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Removed manpage for obsolete program (part of mdrun...
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commit | commitdiff | tree |
| 2004-01-26 |
lindahl | Added the analysis library to the rpm package descriptions
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Changed index.html to online.html to avoid updating...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Added switch description, and l-bfgs
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Updated documentation stuff for release 3.2
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Updated html manual pages for 3.2
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Updated program list
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Moved the real code of analysis programs to gmx_* and...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removing scripts, introducing wrapper binaries instead.
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removed scripts to introduce wrapper binaries
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removing scripts to introduce wrapper binaries instead.
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removing scripts and introducing wrapper binaries instead.
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Worked around the Intel compiler being identified as...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removed inlining of functions that refer other functions...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removed inlining of random functions. The Intel compiler...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Added conditional inclusion of config.h
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Changed C++ comments to C-style
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Fixed problem on AIX - even the innerloop building...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Fixed compiler warning due to const char argument pointer
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Added check to make sure shift/switch is not used with...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Fixed possible division by zero when debugging Buckingham...
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Removed David's extra inclusion of config.h
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commit | commitdiff | tree |
| 2004-01-25 |
lindahl | Fixed the problem with Buckingham tables. For some...
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commit | commitdiff | tree |
| 2004-01-23 |
lindahl | Fixed inclusion of config.h
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commit | commitdiff | tree |
| 2004-01-23 |
lindahl | Fixed the config.h inclusion
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commit | commitdiff | tree |
| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files
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commit | commitdiff | tree |
| 2004-01-23 |
lindahl | Fixed conditional inclusion of config.h in source files
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commit | commitdiff | tree |
| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files.
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commit | commitdiff | tree |
| 2004-01-22 |
lindahl | Updated a comment, and changed the random number generator...
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commit | commitdiff | tree |
| 2004-01-22 |
lindahl | Modified the gaussian table random numbers to make...
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commit | commitdiff | tree |
| 2004-01-22 |
lindahl | Added Michael Shirts long-range dispersion and repulsion...
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commit | commitdiff | tree |
| 2004-01-20 |
lindahl | Updated version to 3.2.0.
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commit | commitdiff | tree |
| 2004-01-05 |
lindahl | Added check for libxml2 to configure script.
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commit | commitdiff | tree |
| 2003-12-07 |
lindahl | Fixed up the Makefile for the scripts. Now it works...
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commit | commitdiff | tree |
| 2003-12-07 |
lindahl | Fixed error in Makefile that caused the scripts not...
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commit | commitdiff | tree |
| 2003-12-07 |
lindahl | Had to move all wrapper scripts for the analysis programs...
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commit | commitdiff | tree |
| 2003-12-06 |
lindahl | Dont remove generated axp_asm.S since non-case-sensitive...
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commit | commitdiff | tree |
| 2003-12-06 |
lindahl | Removed old line that manually copied scripts to bindir...
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commit | commitdiff | tree |
| 2003-12-06 |
lindahl | We cant require a fully working perl installation for...
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | Removed gmx-ana perl script from build commands. We...
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | disco.h was not listed as a source for disco
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | Fixed more distcheck errors
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | Fixed makefile problems that caused make distcheck...
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | Fixed printf format error
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commit | commitdiff | tree |
| 2003-12-05 |
lindahl | Commented out rtp2xml sources since it is not part...
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Removed rtp2xml as a default program for 3.2.0
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Updated dihedral generation to read options from rtp...
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | We have a better CG in minimize.c now.
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Fixed warnings for automake-1.7
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Modified rtp files to specify whether 1,4 interactions...
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Added support for L-BFGS minimization.
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Fixed warnings about const char and using uninitialized...
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Changed a variable to double - probably doesnt affect...
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Added support for L-BFGS minimization.
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Fixed warnings about const char
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Fixed accuracy bug in double precision.
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Fixed XDR detection warning.
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Updated for automake 1.7 and fixed XDR detection warning
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commit | commitdiff | tree |
| 2003-11-27 |
lindahl | Updated configuration files from ftp.gnu.org
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commit | commitdiff | tree |
| 2003-11-18 |
lindahl | Fixed compiler warnings.
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commit | commitdiff | tree |
| 2003-11-18 |
lindahl | Changed to beta versioning
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commit | commitdiff | tree |
| 2002-11-09 |
lindahl | Dihedral restraint routines.
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commit | commitdiff | tree |
| 2002-11-08 |
lindahl | Added headers for dihedral restraint routines.
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commit | commitdiff | tree |
| 2002-11-06 |
lindahl | Partial commit of the project to remove all static...
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commit | commitdiff | tree |
| 2002-11-05 |
lindahl | Removed deprecated/unused files.
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commit | commitdiff | tree |
| 2002-11-05 |
lindahl | Removed deprecated files.
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commit | commitdiff | tree |
| 2002-11-01 |
lindahl | Removed by mistake
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commit | commitdiff | tree |
| 2002-10-31 |
lindahl | Removed genalg.h by mistake
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commit | commitdiff | tree |
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