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

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

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

2014-06-24	David van der Spoel	Added check in grompp for shells and inputrec issues.	blob \| commitdiff \| raw
2014-05-22	Rossen Apostolov	Normal modes don't work currently with virtual sites...	blob \| commitdiff \| raw \| diff to current
2013-09-13	Berk Hess	corrected grompp constraint/DOF warning with vsites	blob \| commitdiff \| raw \| diff to current
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Code beautification with uncrustify	blob \| commitdiff \| raw \| diff to current
2013-01-18	Mark Abraham	Fixing copyright issues and code contributors	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "Fix trjconv -sub with .trr files" into release...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-17	Roland Schulz	Merge "Added check for valid wall_atomtype in .mdp...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Mark Abraham	Added check for valid wall_atomtype in .mdp	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Essential dynamics: fixed restarts when ED group...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Small fix for g_tune_pme" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Remove the rest of the fortran/power6 accelerati...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Always build template program" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge "Fix license text printed by programs." into...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge changes Idc652236,If03cf569 into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge "issue error if GPU ID is provided with GPU acc...	blob \| commitdiff \| raw \| diff to current
2012-12-18	Christoph Junghans	Merge "Fixes redmine issue #1071" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-14	Michael Shirts	Fixes redmine issue #1071	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	Christoph Junghans	Merge "Fix g_msd -mol" into release-4-6	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
2012-11-17	David van der Spoel	Merge "Added grompp warning" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-16	Mark Abraham	Added grompp warning	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
2012-08-02	Christoph Junghans	Add note about SD integrator and t-coupling	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	Roland Schulz	Build man-pages instead of distributing them in the...	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	David van der Spoel	Merge "changed number of iatoms for F_SETTLE from 1...	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
2012-04-27	Berk Hess	changed number of iatoms for F_SETTLE from 1 to 3	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
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	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
2012-02-21	Christoph Junghans	Merge "changed default epsilon-rf value to 0" into...	blob \| commitdiff \| raw \| diff to current
2012-02-19	Berk Hess	Merge "Generate warnings for QMMM usage" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-15	Gerrit Groenhof	Generate warnings for QMMM usage	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
2012-01-25	Roland Schulz	Merge "Merge release-4-5-patches into release-4-6"...	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
2012-01-15	Christoph Junghans	Merge "Added CMake Toolchain file for BlueGene/P" into...	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
2012-01-04	Christoph Junghans	Merge "Documented the function of g_cluster -cl -noav...	blob \| commitdiff \| raw \| diff to current
2012-01-04	David van der Spoel	Introduced fatal error in grompp for incorrect use...	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
2011-05-05	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
2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	blob \| commitdiff \| raw \| diff to current
2011-03-22	Justin Lemkul	Lots of editorial fixes to descriptions, etc. to make...	blob \| commitdiff \| raw \| diff to current
2011-03-08	Mark Abraham	Added grompp note about avoiding zero-step EM	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
2011-01-29	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-28	Mark Abraham	Improved grompp documentation	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
2011-01-14	Justin Lemkul	Fixes to grompp -maxwarn documentation. Issue ID #627	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	hess	clarified GB parameter error messages in grompp	blob \| commitdiff \| raw \| diff to current
2010-11-02	Berk Hess	fixed incorrect print in fatal error on charge group...	blob \| commitdiff \| raw \| diff to current
2010-11-02	Berk Hess	proper defined of MAX_CHARGEGROUP_SIZE=32 in a single...	blob \| commitdiff \| raw \| diff to current
2010-11-02	David van der Spoel	Fixed bug 608 by throwing a fatal error in grompp.	blob \| commitdiff \| raw \| diff to current
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-22	Per Larsson	Added a check in grompp for the case with particles...	blob \| commitdiff \| raw \| diff to current
2010-10-09	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-09	Erik Lindahl	Fixed uninitialized variable warning in grompp.c	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	made grompp mdp input file non-optional, fixes bugzilla 577	blob \| commitdiff \| raw \| diff to current
2010-09-22	Berk Hess	added a warning/note for bond oscillational periods...	blob \| commitdiff \| raw \| diff to current
2010-09-13	Berk Hess	fixed grompp -t frame choice for trajectories with...	blob \| commitdiff \| raw \| diff to current
2010-09-13	Berk Hess	added check and warning for no velocities in grompp...	blob \| commitdiff \| raw \| diff to current
2010-08-30	hess	small changes to grompp 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
2010-08-02	Erik Lindahl	Removed unused variable that caused a warning	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	Roland Schulz	added missing initialization	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
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