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

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

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

2012-02-09	Szilard Pall	renamed GMX_THREADS to GMX_THREAD_MPI	blob \| commitdiff \| raw
2012-02-08	Christoph Junghans	Merge "fixed confusing nonbonded kernel pointer initial...	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
2012-02-02	Teemu Murtola	Merge "Revert "Fix ICC on Windows Build"" into release...	blob \| commitdiff \| raw \| diff to current
2012-02-01	Christoph Junghans	Merge "Fix signed/unsigned warnings" into release-4...	blob \| commitdiff \| raw \| diff to current
2012-01-31	David van der Spoel	Merge "Fix ICC on Windows Build" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-01-25	Roland Schulz	Merge "New approach for GerritBuild script" into releas...	blob \| commitdiff \| raw \| diff to current
2012-01-20	David van der Spoel	Merge "Fixed timing measurements." into release-4-5...	blob \| commitdiff \| raw \| diff to current
2012-01-17	Szilard Pall	Fixed timing measurements.	blob \| commitdiff \| raw \| diff to current
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
2011-04-14	Mark Abraham	Removed unnecessary #includes	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
2011-04-14	Mark Abraham	Moved iterated-constraints code into mdlib	blob \| commitdiff \| raw \| diff to current
2011-04-14	Mark Abraham	Moved heuristic neighbor-list code into mdlib	blob \| commitdiff \| raw \| diff to current
2011-04-14	Mark Abraham	Fixed code duplication	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
2011-03-17	Sander Pronk	Various fixes for Windows builds.	blob \| commitdiff \| raw \| diff to current
2011-03-16	Sander Pronk	mdrun -multi, multidir and replica exchange now exchang...	blob \| commitdiff \| raw \| diff to current
2011-03-15	Sander Pronk	Multisim simulations now all stop when the first one...	blob \| commitdiff \| raw \| diff to current
2011-03-05	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-02-23	Berk Hess	fixed incorrect virial and pressure averages	blob \| commitdiff \| raw \| diff to current
2011-02-02	Mark Abraham	Fixed minor issue with replica exchange	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
2011-01-10	Berk Hess	fixed zero viscosity energy/log file output with cos_ac...	blob \| commitdiff \| raw \| diff to current
2010-10-08	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-05	Berk Hess	fixed completely incorrect pressure scaling with nstlis...	blob \| commitdiff \| raw \| diff to current
2010-09-10	Berk Hess	turned on checkpointing with nstlist=0	blob \| commitdiff \| raw \| diff to current
2010-09-10	Berk Hess	made sure the energy history from a checkpoint file...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Rossen Apostolov	Removed the unnecessary hacks from some boolean statements.	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
2010-08-21	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
2010-08-19	Michael Shirts	Additional fixes to the nsttcouple and nstpcouple worki...	blob \| commitdiff \| raw \| diff to current
2010-08-19	Michael Shirts	Proposed fix for v-rescale and berendsen for velocity...	blob \| commitdiff \| raw \| diff to current
2010-08-19	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	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	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	Michael Shirts	Changed the way energy conservation bookeeping is done.	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
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-13	Michael Shirts	Trying to get vscale working with vv.	blob \| commitdiff \| raw \| diff to current
2010-08-09	Michael Shirts	First pass at getting VV / v-rescale formula correct.	blob \| commitdiff \| raw \| diff to current
2010-08-07	Michael Shirts	Eliminated some commented out code.	blob \| commitdiff \| raw \| diff to current
2010-08-06	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-04	Berk Hess	removed commrec->nthreads from FAHCORE code	blob \| commitdiff \| raw \| diff to current
2010-08-03	Berk Hess	made vrescale and Berendsen tcouple work with VV, altho...	blob \| commitdiff \| raw \| diff to current
2010-08-01	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-01	Berk	added nstpcouple-nlist change with twin-range in grompp...	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	minor update for nst change	blob \| commitdiff \| raw \| diff to current
2010-07-30	Berk	added mdp parameters nsttcouple and nstpcouple	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	commented out nthreads and threadid in t_commrec to...	blob \| commitdiff \| raw \| diff to current
2010-07-12	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-11	Michael Shirts	Fixed initial display of temperature for md-vv-avek	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-08	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-08	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-07	Peter Kasson	Changed #ifdef option to allow forced trr write on...	blob \| commitdiff \| raw \| diff to current
2010-06-27	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	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
2010-06-27	Michael Shirts	*Started to add support of nstcalcenergy to vv versions...	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
2010-06-20	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	fix for the previous mdrun -rerun commit	blob \| commitdiff \| raw \| diff to current
2010-06-17	Berk Hess	mdrun -rerun now reads the rerun traj only on the maste...	blob \| commitdiff \| raw \| diff to current
2010-06-17	Berk Hess	minor update for previous replex bugfix	blob \| commitdiff \| raw \| diff to current
2010-06-17	Carsten Kutzner	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Berk Hess	fixed mdrun -rerun giving NaN with dispcorr	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
2010-06-11	Berk Hess	fixed mdrun counter resetting issues	blob \| commitdiff \| raw \| diff to current
2010-06-11	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-11	Michael Shirts	Fixed various logic problems preventing proper energy...	blob \| commitdiff \| raw \| diff to current
2010-06-10	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	Berk Hess	fixed uninitialized variable in do_md	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-05-19	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-19	Teemu Murtola	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-19	Berk Hess	fixed mdrun unwantingly modifying nstenergy and nstlog	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Sander Pronk	Now does something useful with the USR1 signal.	blob \| commitdiff \| raw \| diff to current
2010-05-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Sander Pronk	Further changes to the signal handling.	blob \| commitdiff \| raw \| diff to current
2010-05-10	Sander Pronk	Cleaned up signal handling code.	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
2010-05-07	Berk Hess	Merge commit 'origin/2dpme'	blob \| commitdiff \| raw \| diff to current
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