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

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

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

2012-06-21	David van der Spoel	Fixes #961 - Shake reports wrong error	blob \| commitdiff \| raw
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	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
2010-06-27	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	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
2010-06-22	Michael Shirts	Harded the shake constraint package so that it couldn...	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
2010-04-04	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-01	Sander Pronk	Changed/fixed g_msd to remove the center of mass motion...	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-01-19	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-05	Roland Schulz	Undo Michael's accidental commits with:	blob \| commitdiff \| raw \| diff to current
2010-01-04	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-22	Sander Pronk	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-22	Sander Pronk	Fixed some small issues - mdrun still doesn't work.	blob \| commitdiff \| raw \| diff to current
2009-12-21	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Committing to merge	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-17	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-11-23	Michael Shirts	Apparently works with all the methods now, both with...	blob \| commitdiff \| raw \| diff to current
2009-10-25	Michael Shirts	Made changes suggested by Berk.	blob \| commitdiff \| raw \| diff to current
2009-09-26	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-26	Michael Shirts	Now we are getting energy conservation with NPT, and...	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	before I make any other mistakes . . .	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Code now almost conserves energy. I should investigate...	blob \| commitdiff \| raw \| diff to current
2009-09-19	Michael Shirts	About to make more drastic changes to try to fix conser...	blob \| commitdiff \| raw \| diff to current
2009-09-18	Michael Shirts	A number of changes to try to rationalize constraints...	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
2009-09-07	Michael Shirts	A number of changes to gromacs_mrs. Almost working...	blob \| commitdiff \| raw \| diff to current
2009-06-17	Berk Hess	implemented force constraining that work together with...	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
2008-02-01	hess	made SHAKE within charge groups work with domain decomp...	blob \| commitdiff \| raw \| diff to current
2007-07-13	hess	mdrun now only writes a log file on the master node...	blob \| commitdiff \| raw \| diff to current
2006-10-16	hess	changed the velocity constraining from positional diffe...	blob \| commitdiff \| raw \| diff to current
2006-04-05	hess	implemented parallel LINCS	blob \| commitdiff \| raw \| diff to current
2005-03-11	hess	Huge constraint virial fix: moved the constraint virial...	blob \| commitdiff \| raw \| diff to current
2004-12-26	lindahl	Removed fortran versions of constraint routines.	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
2004-01-23	lindahl	Added conditional inclusion of config.h to source files.	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
2002-02-28	spoel	Renamed pull-internal.h to pull_internal.h	blob \| commitdiff \| raw \| diff to current
2002-01-14	spoel	Cleaned up and fixed a very recent bug in PME (bug...	blob \| commitdiff \| raw \| diff to current
2002-01-11	spoel	Passed down error messages from shake to md.c to be...	blob \| commitdiff \| raw \| diff to current
2001-06-28	hess	fixed atom numbering in shake error	blob \| commitdiff \| raw \| diff to current
2001-05-17	hess	corrected a = to <= in shake error fprintf	blob \| commitdiff \| raw \| diff to current
2001-05-14	lindahl	Tagged files with gromacs 3.0 header	blob \| commitdiff \| raw \| diff to current
2001-03-18	spoel	Revived the successive overrelaxation algorithm for...	blob \| commitdiff \| raw \| diff to current
2001-03-02	lindahl	Transfer of the entire build system to autoconf/automake.	blob \| commitdiff \| raw \| diff to current
2001-02-26	spoel	Added support for zero masses in shake (not lincs)...	blob \| commitdiff \| raw \| diff to current
2000-11-15	spoel	Updated ref (comment only)	blob \| commitdiff \| raw \| diff to current
2000-05-19	hess	fixed constraint lengths in shake with fep	blob \| commitdiff \| raw \| diff to current
2000-02-10	hess	added softcore option in inputrec, removed deltagrid...	blob \| commitdiff \| raw \| diff to current
1999-11-24	hess	added lagrange multipliers to shake for FEP	blob \| commitdiff \| raw \| diff to current
1999-11-03	hess	copyrgted	blob \| commitdiff \| raw \| diff to current
1999-06-02	hess	moved the constraint stuff form update.c to constr.c	blob \| commitdiff \| raw \| diff to current
1999-05-16	hess	moved from gmxlib to mdlib	blob \| commitdiff \| raw \| diff to current

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