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

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

[alexxy/gromacs.git] / src / mdlib / shellfc.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
2012-07-25	Roland Schulz	Merge "cmake: allow switch between single and double...	blob \| commitdiff \| raw \| diff to current
2012-07-25	Roland Schulz	Merge "fix a segfault in sse_mask_init" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-24	Mark Abraham	Clean up of environment variables	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-04	Michael Shirts	Merging in free energy, exp. ensemble, & andersen t...	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 "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
2012-04-26	Szilárd Páll	Merge "fixed initial COM motion removal with multiple...	blob \| commitdiff \| raw \| diff to current
2012-04-26	David van der Spoel	Merge "Various improvements to shell code" into release...	blob \| commitdiff \| raw \| diff to current
2012-04-19	Mark Abraham	Various improvements to shell code	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
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	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
2012-01-25	Roland Schulz	Merge "Merge release-4-5-patches into release-4-6"...	blob \| commitdiff \| raw \| diff to current
2012-01-25	Berk Hess	Merge "Added two new bonded functions." into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-01-25	David van der Spoel	Added two new bonded functions.	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
2011-03-07	Berk Hess	removed a global #atoms alloc in mdrun initialization	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
2010-06-09	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
2010-03-07	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-03-01	Berk Hess	split off chargegroup.c from pbc.c and tpi.c from minim...	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
2009-12-19	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
2009-11-19	Michael Shirts	Partway through with rationalization of different integ...	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
2009-09-14	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
2009-09-09	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	Michael Shirts	A number of changes to gromacs_mrs. Almost working...	blob \| commitdiff \| raw \| diff to current
2009-09-07	Roland Schulz	renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...	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
2009-08-04	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-03	Berk Hess	changed the twin-range integrator to a symplectic Trott...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Berk Hess	removed static variables and rearranged some data struc...	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	Merge branch 'thread_mpi'	blob \| commitdiff \| raw \| diff to current
2009-06-17	Berk Hess	removed static variables	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
2009-04-09	hess	replaced the global buf vector by local vectors	blob \| commitdiff \| raw \| diff to current
2009-03-30	hess	renamed dgdl to dhdl	blob \| commitdiff \| raw \| diff to current
2009-02-02	hess	changed most step count variables from int to gmx_step_t	blob \| commitdiff \| raw \| diff to current
2009-01-30	lindahl	Initial commit of generalized born electrostatics....	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	changed the time and lambda parameters in inputrec...	blob \| commitdiff \| raw \| diff to current
2008-11-23	hess	made pressure/virial calculation optional	blob \| commitdiff \| raw \| diff to current
2008-11-11	hess	fixed shell prediction bug with DD which caused a crash...	blob \| commitdiff \| raw \| diff to current
2008-11-11	hess	fixed shell prediction bug with DD which caused a crash...	blob \| commitdiff \| raw \| diff to current
2008-10-10	lindahl	Merged in changes from final 4.0 release into head...	blob \| commitdiff \| raw \| diff to current
2008-10-07	lindahl	Added copyright statements to files missing them.	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
2008-08-11	hess	split the t_group struct into a gmx_ekindata_t struct...	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
2008-06-27	hess	fixed shells not working single processor, introduced...	blob \| commitdiff \| raw \| diff to current
2008-06-17	hess	implemented checkpointing for distance and orientation...	blob \| commitdiff \| raw \| diff to current
2008-06-11	hess	replaced all the booleans in the do_force call with...	blob \| commitdiff \| raw \| diff to current
2008-02-28	spoel	Only print to the log file when we have a log file.	blob \| commitdiff \| raw \| diff to current
2008-02-27	hess	fixed bug with pbc=no	blob \| commitdiff \| raw \| diff to current
2008-02-19	hess	shakefirst now calls constrain directly (no longer...	blob \| commitdiff \| raw \| diff to current
2008-02-19	hess	removed subtraction of f_el_recip which was incorrect...	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
2008-01-28	hess	moved sim_nodeid from gmx_domdec_t to commrec_t and...	blob \| commitdiff \| raw \| diff to current
2008-01-04	hess	moved the sum_epot call into do_force, added dispcorr...	blob \| commitdiff \| raw \| diff to current
2008-01-03	hess	merged the pull calls into do_force() and constrain...	blob \| commitdiff \| raw \| diff to current
2007-11-22	hess	enabled flexible constraint to be used together with...	blob \| commitdiff \| raw \| diff to current
2007-11-16	hess	fixed the last DD shell stuff	blob \| commitdiff \| raw \| diff to current
2007-11-16	hess	made the shell code compatible with domain decompositio...	blob \| commitdiff \| raw \| diff to current

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