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

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

[alexxy/gromacs.git] / include / mdrun.h

2012-02-09	Szilard Pall	renamed GMX_THREADS to GMX_THREAD_MPI	blob \| commitdiff \| raw
2011-05-06	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	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
2011-04-21	Erik Marklund	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-04-21	Sander Pronk	Added prototypes for functions in md_support.c to mdrun.h	blob \| commitdiff \| raw \| diff to current
2011-04-14	Mark Abraham	Moved various support functions for do_md into mdlib	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
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Cleaned up all installed headers to remove strict depen...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Berk Hess	removed the bNEMD boolean from the main MD loop and...	blob \| commitdiff \| raw \| diff to current
2010-07-21	Berk	corrected the order of the parallel inputrec and state...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Sander Pronk	Fixed header files to be able to link 3d party code...	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
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-23	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-22	Sander Pronk	Most (if not all) file operations are now thread safe.	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
2010-06-11	Sander Pronk	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-11	Berk Hess	optimized the number of threads	blob \| commitdiff \| raw \| diff to current
2010-06-11	Sander Pronk	Merge branch 'threadspawn'	blob \| commitdiff \| raw \| diff to current
2010-06-11	Sander Pronk	Cleaned up code that determines thread number.	blob \| commitdiff \| raw \| diff to current
2010-06-11	Sander Pronk	Number of threads is now also determined by system...	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
2010-04-04	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-21	Sander Pronk	Auto-cancels threads for non-parallel integrators.	blob \| commitdiff \| raw \| diff to current
2010-03-15	Sander Pronk	Now auto-detects the number of hardware threads and...	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
2010-02-19	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
2010-02-17	Berk Hess	synchronized checkpointing and termination with 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
2010-02-01	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-31	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-29	Berk Hess	changed mdrun option -resethmaxh to -resethway and...	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
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	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
2010-01-05	Berk Hess	split md.c into md.c and runner.c	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
2009-12-20	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	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
2009-11-30	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-29	Michael Shirts	Fix for parallel temperature and pressure on initial...	blob \| commitdiff \| raw \| diff to current
2009-11-28	Michael Shirts	Working for checkpointing in the same way as the CVS...	blob \| commitdiff \| raw \| diff to current
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Roland Schulz	C++ fixes part2; extern C fixes in header files a*...	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	Michael Shirts	Apparently works with all the methods now, both with...	blob \| commitdiff \| raw \| diff to current
2009-11-20	Michael Shirts	Working with velocity verlet / harmonic bonds with...	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
2009-11-05	Michael Shirts	Committing changes to have the arguments to compute_glo...	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
2009-10-21	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-12	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-12	Carsten Kutzner	cycle counters can now be reset by a (hidden) mdrun...	blob \| commitdiff \| raw \| diff to current
2009-10-12	Sander Pronk	Cleaned up parallel detection in pme & other places.	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	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
2009-09-18	Michael Shirts	A number of changes to try to rationalize constraints...	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
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