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

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

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

2013-01-14	Carsten Kutzner	Essential dynamics output file now in .xvg format	blob \| commitdiff \| raw
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Merge "removed group non-boneded call with verlet schem...	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Merge "improve FindGROMACS.cmake" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Force C++ linking of the gpu_utils	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-06	Berk Hess	Merge "Add option to install libcudart" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-06	Berk Hess	Merge "don't execute any mpi_info/mpiname in the path...	blob \| commitdiff \| raw \| diff to current
2012-11-05	Berk Hess	Merge "updated several things related with OpenMP threa...	blob \| commitdiff \| raw \| diff to current
2012-11-05	Berk Hess	updated several things related with OpenMP thread count	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
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
2012-07-13	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
2012-06-01	Christoph Junghans	Merge "Use External BLAS/LAPACK by default" into releas...	blob \| commitdiff \| raw \| diff to current
2012-05-29	Christoph Junghans	Merge "Revised g_tune_pme" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-27	David van der Spoel	Merge "added explicit sqrtf to the float version of...	blob \| commitdiff \| raw \| diff to current
2012-05-25	Roland Schulz	Merge "fixed [dd] and [TT] typos in documentation of...	blob \| commitdiff \| raw \| diff to current
2012-05-25	David van der Spoel	Merge "grompp now retains the order of bonds converted...	blob \| commitdiff \| raw \| diff to current
2012-05-25	Martin Hoefling	fixed [dd] and [TT] typos in documentation of mdrun...	blob \| commitdiff \| raw \| diff to current
2012-05-25	Christoph Junghans	Merge "Fix that sigaction mask wasn't zeroed" into...	blob \| commitdiff \| raw \| diff to current
2012-05-24	Berk Hess	now mdrun always initializes MPI	blob \| commitdiff \| raw \| diff to current
2012-05-09	Christoph Junghans	Merge "Backporting "moving membed to mdrun" from master...	blob \| commitdiff \| raw \| diff to current
2012-05-08	Maarten Wolf	Backporting "moving membed to mdrun" from master	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
2012-04-24	Berk Hess	Merge "allow -append to overrule unsupported file locki...	blob \| commitdiff \| raw \| diff to current
2012-04-23	Christoph Junghans	Merge "compiler flag fixes" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-22	Roland Schulz	Merge "enable command line option cheking in mdrun...	blob \| commitdiff \| raw \| diff to current
2012-04-18	Berk Hess	allow -append to overrule unsupported file locking	blob \| commitdiff \| raw \| diff to current
2012-04-15	Szilard Pall	enable command line option cheking in mdrun	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
2012-03-18	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
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