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

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

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

2012-08-07	Carsten Kutzner	Fixed essential dynamics / flooding group PBC serial	blob \| commitdiff \| raw
2012-08-06	Christoph Junghans	Merge "Added comment in get_structure about which struc...	blob \| commitdiff \| raw \| diff to current
2012-08-06	Carsten Kutzner	Fixed calculation of projection for STAR and/or SORI	blob \| commitdiff \| raw \| diff to current
2012-08-04	Roland Schulz	Merge "Fixed segv in essential dynamics module" into...	blob \| commitdiff \| raw \| diff to current
2012-08-03	Carsten Kutzner	Fixed segv in essential dynamics module	blob \| commitdiff \| raw \| diff to current
2011-05-31	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-30	Carsten Kutzner	Flooding as harm. restraint: Abort when origin position...	blob \| commitdiff \| raw \| diff to current
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-03-30	Carsten Kutzner	Checks for zero-mass atoms in ED, better ordering of...	blob \| commitdiff \| raw \| diff to current
2011-03-05	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-03-03	Carsten Kutzner	Fixed wrong error message when using flooding code...	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
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-07-14	Carsten Kutzner	Fixed several minor issues in ED/flooding module	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-12	David van der Spoel	Fixed a lot of spelling errors in comments and document...	blob \| commitdiff \| raw \| diff to current
2010-06-10	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-08	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-08	Carsten Kutzner	fixed continuation runs with essential dynamics	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Carsten Kutzner	fixed file appending for essential dynamics output...	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
2010-02-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Carsten Kutzner	Removed useless code in dd_make_local_group_indices	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
2010-01-18	Carsten Kutzner	Resubmitted changes that were accidentally undone by...	blob \| commitdiff \| raw \| diff to current
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	blob \| commitdiff \| raw \| diff to current
2010-01-14	Berk Hess	Merge branch 'release-4-0-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-01-13	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-13	Carsten Kutzner	Moved routines that collect group coords for comparison...	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
2009-12-27	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
2009-12-21	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-21	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-21	Carsten Kutzner	Essential dynamics: fixed segfault when using sd2 integ...	blob \| commitdiff \| raw \| diff to current
2009-12-21	Carsten Kutzner	Essential dynamics: fixed segfault when using sd2 integ...	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-12	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-09-09	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-07	Carsten Kutzner	Edsam: Added the possibility to flood towards a certain...	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
2009-07-04	Sander Pronk	file names now const correct; builds in C++	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
2009-06-24	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-24	Sander Pronk	Many thread-safety fixes in mdlib; better error reporti...	blob \| commitdiff \| raw \| diff to current
2009-06-22	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-06-19	Carsten Kutzner	Removed all static variables in edsam.c	blob \| commitdiff \| raw \| diff to current
2009-06-12	Berk Hess	implemented a low memory usage global to local atom...	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
2008-12-18	carsten	Joined the PBC edsam.c patch from the release-4-0-patch...	blob \| commitdiff \| raw \| diff to current
2008-12-18	carsten	Fixed PBC treatment for parallel ED. With this patch...	blob \| commitdiff \| raw \| diff to current
2008-09-19	lindahl	Implemented automatic renaming and optional appending...	blob \| commitdiff \| raw \| diff to current
2008-09-09	carsten	Deleted function which checks in the flooding code...	blob \| commitdiff \| raw \| diff to current
2008-08-14	carsten	The flooding functionality can now be used in parallel.	blob \| commitdiff \| raw \| diff to current
2008-08-13	carsten	Removed C++ style comments (//) from the code. Cleaned...	blob \| commitdiff \| raw \| diff to current
2008-08-13	carsten	Added support for flooding, cleaned up the code, got...	blob \| commitdiff \| raw \| diff to current
2008-08-12	hess	introced a new structure for the local topology in...	blob \| commitdiff \| raw \| diff to current
2008-08-12	carsten	Initialized last_edi in read_edi_file	blob \| commitdiff \| raw \| diff to current
2008-08-08	carsten	Added velocity correction to do_edsam.	blob \| commitdiff \| raw \| diff to current
2008-08-08	hess	updated the edsam code for gmx_mtop_t	blob \| commitdiff \| raw \| diff to current
2008-08-05	carsten	Allow for multiple ED datasets that can be used by...	blob \| commitdiff \| raw \| diff to current
2008-07-03	spoel	Fixed uninitialized variable	blob \| commitdiff \| raw \| diff to current
2008-07-01	carsten	The new edsam module can now be used with domain decomp...	blob \| commitdiff \| raw \| diff to current
2008-03-07	hess	reorganized the pbc code, there is now an extra pbc_dx...	blob \| commitdiff \| raw \| diff to current
2007-05-30	spoel	Added comment	blob \| commitdiff \| raw \| diff to current
2007-04-19	spoel	Removed inline statements for compiler compatibility...	blob \| commitdiff \| raw \| diff to current
2007-01-30	hess	made dangerously named function check static	blob \| commitdiff \| raw \| diff to current
2006-02-23	spoel	Merged in bugfix from 3.3	blob \| commitdiff \| raw \| diff to current
2005-09-01	lindahl	Fixed lots of minor edsam errors that caused compile...	blob \| commitdiff \| raw \| diff to current
2005-08-29	lindahl	Added flooding patch to edsam from Oliver Lange.	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
2004-02-29	lindahl	Added changes from the make_edi program contributed...	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
2001-05-14	lindahl	Tagged files with gromacs 3.0 header	blob \| commitdiff \| raw \| diff to current
2000-07-12	hess	made the numbering in nrjac go from 0 iso 1	blob \| commitdiff \| raw \| diff to current
1999-11-03	hess	copyrgted	blob \| commitdiff \| raw \| diff to current
1999-06-02	hess	put the constraints code in several seperate functions	blob \| commitdiff \| raw \| diff to current
1999-05-14	hess	moved from gmxlib to mdlib	blob \| commitdiff \| raw \| diff to current

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