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

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

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

2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw
2010-07-24	Sander Pronk	New .edr file format: now supports blocks of arbitrary...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	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	documented pull cosine weighting	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
2010-03-09	Berk Hess	added checksums for mdrun xvg output files	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-24	Berk Hess	fixed pull constraint memory error causing always 100...	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	Berk Hess	renamed ga2la_home to ga2la_get_home, added ga2la_is_home	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
2009-12-20	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
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-17	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-16	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-15	Berk Hess	added pull geometry distance_periodic and reorganized...	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	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
2009-08-11	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-10	Berk Hess	Merge branch 'release-4-0-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2009-08-07	Berk Hess	added env.var. to turn off the COM pull virial contribution	blob \| commitdiff \| raw \| diff to current
2009-08-07	Berk Hess	corrected COM pull position reference to init+rate...	blob \| commitdiff \| raw \| diff to current
2009-08-07	Berk Hess	corrected COM pull position reference to init+rate...	blob \| commitdiff \| raw \| diff to current
2009-07-06	Sander Pronk	more const-correctness fixes	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
2009-06-30	Sander Pronk	added output_env_t type for querying time scales, and...	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
2009-06-12	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
2009-05-26	hess	fixed pbc issues with cylinder pulling when the pull...	blob \| commitdiff \| raw \| diff to current
2009-05-20	hess	added the coordinates of the cylinder group to the...	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
2009-01-24	hess	fixed several issues in the cylinder pull code	blob \| commitdiff \| raw \| diff to current
2009-01-24	hess	fixed compiler warnings	blob \| commitdiff \| raw \| diff to current
2009-01-24	hess	fixed several issues in the cylinder pull code	blob \| commitdiff \| raw \| diff to current
2009-01-15	hess	corrected the sign of the umbrella and constraint pull...	blob \| commitdiff \| raw \| diff to current
2009-01-15	hess	corrected the sign of the umbrella and constraint pull...	blob \| commitdiff \| raw \| diff to current
2008-12-18	hess	allowed dd_make_local_pull_groups to be called with PD	blob \| commitdiff \| raw \| diff to current
2008-12-18	hess	allowed dd_make_local_pull_groups to be called with PD	blob \| commitdiff \| raw \| diff to current
2008-12-03	hess	added double sqr version: dsqr	blob \| commitdiff \| raw \| diff to current
2008-12-03	hess	added double sqr version: dsqr	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	changed the time and lambda parameters in inputrec...	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	minor change of pull output formatting	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	minor change of pull output formatting	blob \| commitdiff \| raw \| diff to current
2008-10-26	hess	changed constraint dr output from t+dt to t, introduced...	blob \| commitdiff \| raw \| diff to current
2008-10-26	hess	changed constraint dr output from t+dt to t, introduced...	blob \| commitdiff \| raw \| diff to current
2008-10-24	hess	fixed incorrect distance with geometry=position and...	blob \| commitdiff \| raw \| diff to current
2008-10-24	hess	fixed incorrect distance with geometry=position and...	blob \| commitdiff \| raw \| diff to current
2008-10-23	hess	fixed bug with parallel pulling and geometry=position...	blob \| commitdiff \| raw \| diff to current
2008-10-23	hess	fixed bug with parallel pulling and geometry=position...	blob \| commitdiff \| raw \| diff to current
2008-09-19	lindahl	Implemented automatic renaming and optional appending...	blob \| commitdiff \| raw \| diff to current
2008-08-07	hess	fixed bugs introduced in the previous revision	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
2008-07-09	hess	implemented cosine weighting for pull groups	blob \| commitdiff \| raw \| diff to current
2008-06-27	hess	fixed mass weighting issues causing nan's with energy...	blob \| commitdiff \| raw \| diff to current
2008-06-27	hess	added print for the masses of the pull groups	blob \| commitdiff \| raw \| diff to current
2008-06-19	hess	implemented fep for the umbrella k in COM pulling	blob \| commitdiff \| raw \| diff to current
2008-04-02	hess	corrected effective double counting of f_scal with...	blob \| commitdiff \| raw \| diff to current
2008-03-07	hess	added missing include	blob \| commitdiff \| raw \| diff to current
2008-03-07	hess	the pull code now uses proper pbc_dx_d calls	blob \| commitdiff \| raw \| diff to current
2008-02-01	hess	fixed segv when NULL was passed for the virial, as...	blob \| commitdiff \| raw \| diff to current
2008-01-11	hess	corrected mass weighted for EM and BD, fixed cyclinder...	blob \| commitdiff \| raw \| diff to current
2008-01-04	hess	fixed the pull distance initialization in grompp and...	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
2007-11-27	hess	removed global variable stdlog	blob \| commitdiff \| raw \| diff to current
2007-10-01	hess	fixed two incorrect conditionals that used the pointers...	blob \| commitdiff \| raw \| diff to current
2007-07-31	hess	made some more log prints conditional	blob \| commitdiff \| raw \| diff to current
2007-07-31	hess	fixed an error in the potential (not force) for directi...	blob \| commitdiff \| raw \| diff to current
2007-07-03	hess	added constant force pulling and many small checks...	blob \| commitdiff \| raw \| diff to current
2007-07-02	hess	merged the pull input into the inputrec, implemented...	blob \| commitdiff \| raw \| diff to current
2007-06-18	hess	fixed bug in directional and cylinder pulling introduce...	blob \| commitdiff \| raw \| diff to current
2007-03-30	hess	complete rewrite of the pull code, now works in paralle...	blob \| commitdiff \| raw \| diff to current
2005-08-29	lindahl	Fixed compiler warnings.	blob \| commitdiff \| raw \| diff to current
2005-04-07	hess	removed a debug printf	blob \| commitdiff \| raw \| diff to current
2005-03-11	hess	Huge constraint virial fix: moved the constraint virial...	blob \| commitdiff \| raw \| diff to current
2005-03-03	hess	changed a rvec to dvec, this bug was introduced in...	blob \| commitdiff \| raw \| diff to current
2005-03-02	hess	Added the virial contribution AFM and umbrella pulling...	blob \| commitdiff \| raw \| diff to current
2005-01-05	hess	added option for pull code constraining to set the...	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
2004-08-17	hess	Implemented freeze groups in the pull code. The pull...	blob \| commitdiff \| raw \| diff to current
2004-08-04	hess	fixed the time in the pull output when init_t!=0	blob \| commitdiff \| raw \| diff to current
2004-02-25	hess	fixed a pbc bug which made it impossible to do umbrella...	blob \| commitdiff \| raw \| diff to current
2004-01-27	hess	made the constraint output consistent and fixed a bug...	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
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