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

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

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

2010-09-07	Rossen Apostolov	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw
2010-09-07	Berk Hess	removed (nan) average printing with normal modes	blob \| commitdiff \| raw \| diff to current
2010-09-06	Szilard Pall	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2010-09-02	Rossen Apostolov	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2010-08-30	David van der Spoel	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Resolved merge conflict in gmx_membed.c	blob \| commitdiff \| raw \| diff to current
2010-08-27	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-08-27	Maarten Wolf	Moved membed functionality to mdrun	blob \| commitdiff \| raw \| diff to current
2010-08-26	Christoph Junghans	Merge branch 'master' into HEAD	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Merge branch 'release-4-5-patches'	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
2010-08-22	David van der Spoel	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2010-08-21	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-20	Sander Pronk	Added support for new mdp options controlling free...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Berk	all em integrators now set the runtime	blob \| commitdiff \| raw \| diff to current
2010-07-30	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Berk	made integrator nm work in parallel	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-06-30	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-30	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-28	Berk Hess	added mdrun -cptnum option to keep and number checkpoints	blob \| commitdiff \| raw \| diff to current
2010-06-25	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	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	Per Larsson	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
2010-06-16	Berk Hess	all energy minimizers now do 0 steps with nsteps=0...	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
2010-04-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-09	kasson	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-09	Berk	proper fix for initial constraining with DD and EM	blob \| commitdiff \| raw \| diff to current
2010-04-09	Berk	fixed bug in initial constraining with DD and EM	blob \| commitdiff \| raw \| diff to current
2010-04-04	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	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	Berk Hess	added check for NM and constraints	blob \| commitdiff \| raw \| diff to current
2010-03-13	Berk	fixed accidental revert of minimize.c	blob \| commitdiff \| raw \| diff to current
2010-03-13	Berk	added missing include	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
2010-03-11	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-11	Rossen Apostolov	Initial porting, do_md_openmm_nopatch.h is used.	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
2010-02-24	Sander Pronk	Signal handler now listens to SIGINT (ctrl-c).	blob \| commitdiff \| raw \| diff to current
2010-02-19	Berk	replaced the 5 boolean parameters for write_traj by...	blob \| commitdiff \| raw \| diff to current
2010-02-18	Berk	removed some double initialization code in mdrun	blob \| commitdiff \| raw \| diff to current
2010-02-15	Berk Hess	collected all the mdrun parallel signals into one data...	blob \| commitdiff \| raw \| diff to current
2010-02-10	Berk Hess	replaced the greek xvg symbol escape sequences in gmxli...	blob \| commitdiff \| raw \| diff to current
2010-02-09	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-08	Berk Hess	introduced STEPSTRSIZE for printing gmx_large_int_t	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	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	added hidden option -resethmaxh to mdrun	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
2010-01-14	Berk Hess	Merge branch 'release-4-0-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-01-11	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-11	Berk Hess	made molecules whole in confout after EM	blob \| commitdiff \| raw \| diff to current
2010-01-11	Berk Hess	made molecules whole in confout after EM	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
2009-12-21	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	Fixed some problems with calculation of dispersion...	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
2009-12-19	Michael Shirts	Making the code thread safe (removing the static ints...	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	made some output fixes.	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
2009-11-16	Michael Shirts	Bugfixes for reformatting trotter setup.	blob \| commitdiff \| raw \| diff to current
2009-11-05	Michael Shirts	Format changes to fix global_stat temperature bug ...	blob \| commitdiff \| raw \| diff to current
2009-10-25	Michael Shirts	Added a bug fix for communication of iterated integrato...	blob \| commitdiff \| raw \| diff to current
2009-09-30	Michael Shirts	Changes to give correct output when running in parallel...	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
2009-08-30	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
2009-08-04	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
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