BioD PNPI Git Repos - alexxy/gromacs.git/history

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / mdlib / tables.c

2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	blob \| commitdiff \| raw \| diff to current
2012-04-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-03-28	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-21	Roland Schulz	Removing unused code	blob \| commitdiff \| raw \| diff to current
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-15	Roland Schulz	Fix most errors found by cppcheck	blob \| commitdiff \| raw \| diff to current
2012-02-29	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-23	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-08	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-01-19	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-01-13	Roland Schulz	Merge "Fixed MSVC compiling with plug-in support" into...	blob \| commitdiff \| raw \| diff to current
2012-01-10	Christoph Junghans	Adds AdResS feature to gromacs	blob \| commitdiff \| raw \| diff to current
2011-07-08	Mark Abraham	Fixed improper file close with GB and mdrun -debug	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2010-12-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-12-16	Berk Hess	fixed incorrect LJ table in mdrun with reppow!=12	blob \| commitdiff \| raw \| diff to current
2010-09-09	Berk Hess	the force tables are now continued linearly from nearly...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-09	Teemu Murtola	More PME-User-Switch fixes.	blob \| commitdiff \| raw \| diff to current
2010-08-09	Teemu Murtola	Fixes for PME-User-Switch.	blob \| commitdiff \| raw \| diff to current
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Mark Abraham	Added snew_aligned and sfree_aligned for managing n...	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-01	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	renamed libfn function to gmxlibfn	blob \| commitdiff \| raw \| diff to current
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-02	Berk Hess	added check for user table spacing	blob \| commitdiff \| raw \| diff to current
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-07-06	Sander Pronk	more const-correctness fixes	blob \| commitdiff \| raw \| diff to current
2009-07-02	Sander Pronk	fixed allocation issue in libfn (futil.c).	blob \| commitdiff \| raw \| diff to current
2009-06-30	Sander Pronk	added output_env_t type for querying time scales, and...	blob \| commitdiff \| raw \| diff to current
2009-06-25	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-25	Sander Pronk	Fixed many thread-unsafe bits of code; only gmx_wallcyc...	blob \| commitdiff \| raw \| diff to current
2009-06-22	Berk Hess	added the repulsion power to the tpr file and added...	blob \| commitdiff \| raw \| diff to current
2009-06-04	Erik Lindahl	Removed Id tags from master branch since they will...	blob \| commitdiff \| raw \| diff to current
2009-06-03	hess	updated for C++ compilation	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Initial CMAP support commit.	blob \| commitdiff \| raw \| diff to current
2009-03-07	lindahl	Fixed windows portability issues, and renamed some...	blob \| commitdiff \| raw \| diff to current
2009-02-16	hess	fixed incorrect repulsion for LJ14 with Buckingham...	blob \| commitdiff \| raw \| diff to current
2009-02-16	hess	fixed incorrect repulsion for LJ14 with Buckingham...	blob \| commitdiff \| raw \| diff to current
2009-01-30	lindahl	Initial commit of generalized born electrostatics....	blob \| commitdiff \| raw \| diff to current
2009-01-20	hess	fixed reading beyond array bound for hidden user table...	blob \| commitdiff \| raw \| diff to current
2009-01-20	hess	fixed reading beyond array bound for hidden user table...	blob \| commitdiff \| raw \| diff to current
2008-09-19	lindahl	Implemented automatic renaming and optional appending...	blob \| commitdiff \| raw \| diff to current
2008-08-27	hess	added a check for user tables entries close to GMX_MAX_...	blob \| commitdiff \| raw \| diff to current
2008-08-01	hess	made a debug print more meaningful	blob \| commitdiff \| raw \| diff to current
2008-03-11	hess	changed the pair table length from tabext to rcut+tabex...	blob \| commitdiff \| raw \| diff to current
2008-01-18	hess	implemented spline force generation for user tables...	blob \| commitdiff \| raw \| diff to current
2007-09-11	hess	replaced warning about zero table by note	blob \| commitdiff \| raw \| diff to current
2007-08-29	hess	fixed a bug introduced in the previous commit that...	blob \| commitdiff \| raw \| diff to current
2007-07-13	hess	added a check that the force in the user tables matches...	blob \| commitdiff \| raw \| diff to current
2007-06-04	hess	fixed a bug which with wall tables	blob \| commitdiff \| raw \| diff to current
2007-05-08	hess	added coulombtype Reaction-Field-zero	blob \| commitdiff \| raw \| diff to current
2007-04-12	spoel	Fixed bug in internal data structures	blob \| commitdiff \| raw \| diff to current
2007-04-12	spoel	Added missing string in table names	blob \| commitdiff \| raw \| diff to current
2007-03-30	hess	fixed a harmless rounding problem introduced in the...	blob \| commitdiff \| raw \| diff to current
2007-02-13	hess	added pbc=xy and walls, added a separate mdp option...	blob \| commitdiff \| raw \| diff to current
2006-12-08	hess	implemented tabulated bonded potentials	blob \| commitdiff \| raw \| diff to current
2006-10-05	hess	changed the splines to V and f matching	blob \| commitdiff \| raw \| diff to current
2006-07-20	hess	implemented PME-Switch electrostatics	blob \| commitdiff \| raw \| diff to current
2006-04-19	lindahl	fatal.h clashes with system headers on AIX. Renamed...	blob \| commitdiff \| raw \| diff to current
2005-09-01	lindahl	Made table data aligned to 16-byte boundaries for altivec.	blob \| commitdiff \| raw \| diff to current
2005-08-30	lindahl	Fixed a table bug - the array bCoulomb[] was incorrectl...	blob \| commitdiff \| raw \| diff to current
2005-08-29	lindahl	Fixed compiler warnings.	blob \| commitdiff \| raw \| diff to current
2005-06-17	hess	The pair interactions now always use plain cut-off...	blob \| commitdiff \| raw \| diff to current
2005-03-01	hess	implemented test particle insertion, activated the...	blob \| commitdiff \| raw \| diff to current
2005-02-22	hess	read_xvg now returns double precision data and modified...	blob \| commitdiff \| raw \| diff to current
2005-02-08	spoel	Added support for a combination of PME and User determi...	blob \| commitdiff \| raw \| diff to current
2004-12-26	lindahl	Made Gromacs defines more systematic by adding the...	blob \| commitdiff \| raw \| diff to current
2004-09-06	spoel	Replaced the fatal_error routine by a more flexible...	blob \| commitdiff \| raw \| diff to current
2004-08-28	lindahl	Added Encad shift functions to the table code.	blob \| commitdiff \| raw \| diff to current
2004-08-10	hess	added reaction-field correction for excluded atom pairs...	blob \| commitdiff \| raw \| diff to current
2004-01-25	lindahl	Fixed possible division by zero when debugging Buckingh...	blob \| commitdiff \| raw \| diff to current
2004-01-23	lindahl	Added conditional inclusion of config.h to source files.	blob \| commitdiff \| raw \| diff to current
2004-01-22	hess	fixed filling of buckingham tables, broke since at...	blob \| commitdiff \| raw \| diff to current
2004-01-21	hess	added check for the first user table element being...	blob \| commitdiff \| raw \| diff to current
2003-11-27	lindahl	Fixed warnings about const char	blob \| commitdiff \| raw \| diff to current
2003-11-17	spoel	Upped the version to 3.2.0	blob \| commitdiff \| raw \| diff to current
2002-11-06	lindahl	Partial commit of the project to remove all static...	blob \| commitdiff \| raw \| diff to current
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