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

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

[alexxy/gromacs.git] / src / gmxlib / mvdata.c

2011-12-19	Carsten Kutzner	Enforced rotation	blob \| commitdiff \| raw
2011-06-29	Mark Abraham	Revert "draft"	blob \| commitdiff \| raw \| diff to current
2011-06-29	Mark Abraham	draft	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
2010-12-11	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-12-06	Mark Abraham	Added comments and workaround for IBM's BlueGene(/L...	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
2010-06-09	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
2010-03-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-10	Berk Hess	fixed segv with NH and pd	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-02	Berk Hess	fixed segv in bcast_state with etc=v-rescale and partic...	blob \| commitdiff \| raw \| diff to current
2010-01-26	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-22	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-22	Michael Shirts	A variety of changes to correctly do checkpointing...	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
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	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
2010-01-11	Michael Shirts	changes the nnhchains name to nhchainlength	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
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Berk	moved cmap_grid from mtop to ffparams and idef	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
2009-12-21	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
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Fixed an issue with checkpointing not getting the first...	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
2009-12-19	Michael Shirts	Committing to merge	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Changing the cpt version; can't figure out how to prese...	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
2009-12-06	Erik Lindahl	Merge branch 'release-4-0-patches' of git.gromacs.org...	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
2009-11-30	David van der Spoel	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
2009-11-23	Berk	removed MPI_Bcast of NULL pointers	blob \| commitdiff \| raw \| diff to current
2009-11-23	Berk	removed MPI_Bcast of NULL pointers	blob \| commitdiff \| raw \| diff to current
2009-11-20	Michael Shirts	Almost working now! not vv for average kinetic energy...	blob \| commitdiff \| raw \| diff to current
2009-10-25	Michael Shirts	added changes to take alpha out of the ir->opts. now...	blob \| commitdiff \| raw \| diff to current
2009-09-30	Michael Shirts	More bug fixed for parallel running.	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	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-07-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-09	Erik Lindahl	Fixed parallel bug (PD, probably not DD) where the...	blob \| commitdiff \| raw \| diff to current
2009-06-25	Berk Hess	fixed missing communication of new reppow	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	Merge branch 'thread_mpi'	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	intial commit of thread_mpi (compiles, but does not...	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
2009-05-19	hess	fixed bug with pull groups using weights in parallel	blob \| commitdiff \| raw \| diff to current
2009-05-19	hess	fixed bug with pull groups using weights in parallel	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Initial CMAP support commit.	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Parallel domain decomposition support for Generalized...	blob \| commitdiff \| raw \| diff to current
2009-03-27	hess	implemented foreign lambda free energy difference code	blob \| commitdiff \| raw \| diff to current
2009-03-21	hess	added missing snew for resinfo	blob \| commitdiff \| raw \| diff to current
2009-03-06	hess	added t_resinfo struct to t_atoms which contains the...	blob \| commitdiff \| raw \| diff to current
2008-09-21	hess	fixed the slight kinetic energy mismatch at continuatio...	blob \| commitdiff \| raw \| diff to current
2008-09-21	hess	fixed the slight kinetic energy mismatch at continuatio...	blob \| commitdiff \| raw \| diff to current
2008-09-19	hess	updated for the additional energy state entries	blob \| commitdiff \| raw \| diff to current
2008-08-05	hess	t_topology is now partially replaced by gmx_mtop_t...	blob \| commitdiff \| raw \| diff to current
2008-07-24	hess	implemented velocity rescaling thermostat and fixed...	blob \| commitdiff \| raw \| diff to current
2008-06-20	hess	bcast_state now uses a loop and a switch such that...	blob \| commitdiff \| raw \| diff to current
2008-06-18	hess	fixed binary exact checkpoint continuation with pressur...	blob \| commitdiff \| raw \| diff to current
2008-06-11	hess	added ilist sorting to put free energy bondeds at the...	blob \| commitdiff \| raw \| diff to current
2008-04-11	hess	implemented checkpoint files	blob \| commitdiff \| raw \| diff to current
2008-03-19	hess	added fudgeQQ to the communication, this caused 14...	blob \| commitdiff \| raw \| diff to current
2008-02-13	hess	implemented box shape preservation for (semi)isotropic...	blob \| commitdiff \| raw \| diff to current
2008-02-02	hess	removed a array from t_block for cgs and mols, renamed...	blob \| commitdiff \| raw \| diff to current
2008-01-25	hess	moved all ring communication routines to partdec.c...	blob \| commitdiff \| raw \| diff to current
2008-01-17	hess	implemented automated DD grid and PME node selection	blob \| commitdiff \| raw \| diff to current
2007-07-10	hess	moved debug prints from log to debug file	blob \| commitdiff \| raw \| diff to current
2007-07-02	hess	merged the pull input into the inputrec, implemented...	blob \| commitdiff \| raw \| diff to current
2007-01-03	hess	added flags to t_state to indicate the presence of...	blob \| commitdiff \| raw \| diff to current
2007-01-03	hess	made the allocation of atoms sizes vectors in state...	blob \| commitdiff \| raw \| diff to current
2006-12-14	hess	removed the multinr arrays from the ilist and block...	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
2006-03-24	hess	implemented proper local topologies for domain decompos...	blob \| commitdiff \| raw \| diff to current
2006-01-20	hess	implemented parallel replica exchange	blob \| commitdiff \| raw \| diff to current
2005-09-24	spoel	Moved parallellization from grompp to mdrun	blob \| commitdiff \| raw \| diff to current
2005-09-12	carsten	Carsten: added PME-PP node splitting for parallel runs	blob \| commitdiff \| raw \| diff to current
2005-09-07	lindahl	Fixed a parallel bug where QM data was sent/received...	blob \| commitdiff \| raw \| diff to current
2005-09-02	lindahl	Last part of the QM-MM patch.	blob \| commitdiff \| raw \| diff to current
2005-08-04	spoel	Removed the t_parm structure and did some very minor...	blob \| commitdiff \| raw \| diff to current
2005-05-19	hess	implemented seperate user tables for selected pairs...	blob \| commitdiff \| raw \| diff to current
2005-04-07	hess	changed Ekin to the average of the half step Ekin's...	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
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