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

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

[alexxy/gromacs.git] / src / kernel / mdrun.c

2012-04-15	Szilard Pall	enable command line option cheking in mdrun	blob \| commitdiff \| raw
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
2012-03-18	David van der Spoel	Merge "Fix typo in Clang CFlags" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-03-18	David van der Spoel	Merge "Merge 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
2012-03-12	Christoph Junghans	Merge "More editorial fixes to tool documentation"...	blob \| commitdiff \| raw \| diff to current
2012-03-12	Teemu Murtola	Merge "Made description string for g_select -select...	blob \| commitdiff \| raw \| diff to current
2012-03-09	David van der Spoel	Merge "Improved cryptic error message" into release...	blob \| commitdiff \| raw \| diff to current
2012-03-09	Carsten Kutzner	Merge "Improved warning note with DD and periodic molec...	blob \| commitdiff \| raw \| diff to current
2012-03-09	Mark Abraham	More editorial fixes to tool documentation	blob \| commitdiff \| raw \| diff to current
2012-03-09	Mark Abraham	Editorial changes to tools documentation	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
2012-02-09	Szilard Pall	renamed GMX_THREADS to GMX_THREAD_MPI	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
2012-01-19	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-01-13	Roland Schulz	Merge "Fixed MSVC compiling with plug-in support" into...	blob \| commitdiff \| raw \| diff to current
2012-01-10	Christoph Junghans	Adds AdResS feature to gromacs	blob \| commitdiff \| raw \| diff to current
2011-12-26	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2011-12-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2011-12-19	Carsten Kutzner	Enforced rotation	blob \| commitdiff \| raw \| diff to current
2011-12-08	Roland Schulz	Merge "Added an option to easily compile contrib progra...	blob \| commitdiff \| raw \| diff to current
2011-11-30	Roland Schulz	Merge "Merge remote-tracking branch 'gerrit/release...	blob \| commitdiff \| raw \| diff to current
2011-11-27	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2011-10-20	Christoph Junghans	Merge "Fixes for GB kernel" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2011-10-06	Berk Hess	fixed segv in parallel replica exchange	blob \| commitdiff \| raw \| diff to current
2011-09-16	Erik Lindahl	Merge "made allocation for LINCS with particle decompos...	blob \| commitdiff \| raw \| diff to current
2011-09-15	Berk Hess	mdrun -multi -cpi now checks if simulations parts are...	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
2011-04-20	Sander Pronk	Revert "NUMA aware memory allocators get called (for...	blob \| commitdiff \| raw \| diff to current
2011-04-20	Sander Pronk	NUMA aware memory allocators get called (for Windows).	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
2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	blob \| commitdiff \| raw \| diff to current
2011-03-11	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-03-10	Sander Pronk	Added documentation for multidir.	blob \| commitdiff \| raw \| diff to current
2011-03-10	Sander Pronk	Added more support for multidir.	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
2011-01-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-23	Mark Abraham	Improved consistency of text style usage	blob \| commitdiff \| raw \| diff to current
2010-11-05	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-11-04	Berk Hess	Fixed md.log being opened twice when appending, which...	blob \| commitdiff \| raw \| diff to current
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	blob \| commitdiff \| raw \| diff to current
2010-09-01	Rossen Apostolov	Small update of the GPU related documentation.	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
2010-08-17	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-16	Berk Hess	fixed fatal error in mdrun file appending with -multi...	blob \| commitdiff \| raw \| diff to current
2010-07-19	Berk Hess	fixed mdrun append check when requested output file...	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
2010-06-29	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-29	Teemu Murtola	mdrun again prints copyright notice to stderr.	blob \| commitdiff \| raw \| diff to current
2010-06-28	Berk Hess	renamed mdrun -cptnum to -cpnum	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
2010-06-20	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	Berk Hess	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	Rossen Apostolov	Small cleanup of the openmm section in mdrun.c	blob \| commitdiff \| raw \| diff to current
2010-06-16	Berk Hess	restored the old order of the mdrun option and removed...	blob \| commitdiff \| raw \| diff to current
2010-06-16	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	Rossen Apostolov	Fixed the command line options for GPU binaries.	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Added more fixes in comment texts, generously provided...	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	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
2010-06-07	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Carsten Kutzner	fixed file appending for essential dynamics output...	blob \| commitdiff \| raw \| diff to current
2010-05-26	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-25	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-24	David van der Spoel	Removed C++ style comments in mdrun.	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-04-26	Teemu Murtola	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-26	Berk Hess	only master mdrun now prints the output file renaming...	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
2010-04-02	Sander Pronk	Cleaned up the mdrun/main.c thread code a little more.	blob \| commitdiff \| raw \| diff to current
2010-04-02	Sander Pronk	Fixed checkpoint continuation bug for thread-parallel...	blob \| commitdiff \| raw \| diff to current
2010-04-01	Rossen Apostolov	Minor fixes of typos.	blob \| commitdiff \| raw \| diff to current
2010-03-18	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-17	Rossen Apostolov	openmm: some cleanup in md_openmm.c and mdrun.c	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	Small fixes in mdrun desc.; enable periodic molecules	blob \| commitdiff \| raw \| diff to current
2010-03-11	Szilard Pall	fixed mdrun verbosity with OpenMM build	blob \| commitdiff \| raw \| diff to current
2010-03-11	Szilard Pall	fixed a missing comma and a typo in openmm_wrapper	blob \| commitdiff \| raw \| diff to current
2010-03-11	Rossen Apostolov	Enalbed -maxh option for usage with OpenMM binaries	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
2010-03-08	Berk Hess	made mdrun file appending default and added checks...	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
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