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

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

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

2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw
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
2012-07-16	Christoph Junghans	Merge "Enforced rotation: PBC/restart fix" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-15	David van der Spoel	Merge "Autogenerate gromacs.7 from programs.txt" into...	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-07-05	Christoph Junghans	Merge "Don't rerun checks and be quiet 2nd time cmake...	blob \| commitdiff \| raw \| diff to current
2012-07-05	Christoph Junghans	Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-04	Roland Schulz	Merge "Add FindGROMACS.cmake to template's CMakeLists...	blob \| commitdiff \| raw \| diff to current
2012-07-04	Roland Schulz	Merge "Fixed bug in free energy calculation for Morse...	blob \| commitdiff \| raw \| diff to current
2012-07-03	Szilárd Páll	Merge "Minor formatting and consistency changes to...	blob \| commitdiff \| raw \| diff to current
2012-07-02	Christoph Junghans	Do not print disabled pressures and virials	blob \| commitdiff \| raw \| diff to current
2012-06-25	Berk Hess	fixed segv/hang with EM and foreign lambda values	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
2012-05-07	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 release-4-5-patches into release-4-6	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
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	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
2012-02-08	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
2011-09-13	Berk Hess	Merge "Remove segv in xpm2ps, fixes #611" into release...	blob \| commitdiff \| raw \| diff to current
2011-09-05	Michael Shirts	Merge "fixed incorrect pV term in the energy file"...	blob \| commitdiff \| raw \| diff to current
2011-08-29	Berk Hess	fixed incorrect pV term in the energy file	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
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	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	More allocation fixes for NUMA allocator.	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
2011-02-24	Berk Hess	added missing density factor to cosaccel 1/viscosity...	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
2010-11-02	Sander Pronk	Fixed double precision energy file reading + box matrix...	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
2010-09-25	Rossen Apostolov	mdrun-gpu now doesn't output individual energy term...	blob \| commitdiff \| raw \| diff to current
2010-09-17	Berk Hess	Revert "added GB non-polar solvation energy term to...	blob \| commitdiff \| raw \| diff to current
2010-09-17	Berk Hess	added GB non-polar solvation energy term to the log...	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
2010-08-29	Sander Pronk	Made the dhdl_derivatives option do something when...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Sander Pronk	Free energy writing to ener.edr and four new options...	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
2010-08-21	Erik Lindahl	Dont write nonpolar surface energy to energy file if...	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
2010-08-20	Berk Hess	added dt to energy file frames	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	Erik Lindahl	Fix to write GB and surface energy to separate terms...	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
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-09	Sander Pronk	Now correctly checkpoints on dhdl histograms/lists...	blob \| commitdiff \| raw \| diff to current
2010-08-08	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-06	Sander Pronk	BAR calculations can now store energy histograms in...	blob \| commitdiff \| raw \| diff to current
2010-07-24	Sander Pronk	New .edr file format: now supports blocks of arbitrary...	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
2010-04-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-08	Pär Bjelkmar	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-06	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-06	Berk Hess	added lambda to the dhdl.xvg subtitle	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
2010-02-18	Berk	removed some double initialization code in mdrun	blob \| commitdiff \| raw \| diff to current
2010-02-10	Berk Hess	made g_bar read the temperature for the dhdl.xvg files	blob \| commitdiff \| raw \| diff to current
2010-01-26	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-21	David van der Spoel	Fixed erroneous implementation of calculation of Cp...	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
2010-01-18	Michael Shirts	Fixes for entry to and reading extended system variable...	blob \| commitdiff \| raw \| diff to current
2010-01-17	Michael Shirts	Adding back in changes that mysteriously disappeared.	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
2010-01-14	Berk Hess	removed superfluous dgdl from open_dhdl print	blob \| commitdiff \| raw \| diff to current
2010-01-13	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-11	Michael Shirts	changes the nnhchains name to nhchainlength	blob \| commitdiff \| raw \| diff to current
2010-01-11	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
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	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
2010-01-04	Michael Shirts	Improved output in mdebin.c	blob \| commitdiff \| raw \| diff to current
2010-01-04	Michael Shirts	No longer need to specify fep-lambda every time --...	blob \| commitdiff \| raw \| diff to current
2010-01-02	Michael Shirts	Revision of handling of foreign lambda bonds.	blob \| commitdiff \| raw \| diff to current
2010-01-01	Michael Shirts	Latest revision of free energy changes.	blob \| commitdiff \| raw \| diff to current
2009-12-29	Michael Shirts	Free energy now apparently working with multilambda.	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
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