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

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

[alexxy/gromacs.git] / src / kernel / readir.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
2012-09-15	Kasson	Merge "Fix some memory leaks." into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-09-15	David van der Spoel	Merge "Adapted NMR related data to new pdb format....	blob \| commitdiff \| raw \| diff to current
2012-09-14	Christoph Junghans	Merge "fixed recent bug with grompp check for P-R P...	blob \| commitdiff \| raw \| diff to current
2012-09-13	Berk Hess	fixed recent bug with grompp check for P-R P-coupling	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
2012-08-20	Christoph Junghans	Merge "Fixing of things associated with aminoacid.rtp...	blob \| commitdiff \| raw \| diff to current
2012-08-20	Christoph Junghans	Merge "Clean up some variable naming for eigensolving...	blob \| commitdiff \| raw \| diff to current
2012-08-20	Christoph Junghans	Merge "Explicitly noted an issue with use of genbox...	blob \| commitdiff \| raw \| diff to current
2012-08-18	Roland Schulz	Merge "fix AdResS and long-range electrostatics warning...	blob \| commitdiff \| raw \| diff to current
2012-08-13	Christoph Junghans	fix AdResS and long-range electrostatics warning	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
2012-07-05	Christoph Junghans	Merge "Finalized and extended Szilard's openMP cleanup...	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
2012-07-04	Berk Hess	set default for rcoulomb, rvdw and rlist to -1	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
2012-04-22	Roland Schulz	Merge "enable command line option cheking in mdrun...	blob \| commitdiff \| raw \| diff to current
2012-04-16	Roland Schulz	Merge "changed default for nstxout, nstvout and nstlog...	blob \| commitdiff \| raw \| diff to current
2012-04-16	Berk Hess	changed default for nstxout, nstvout and nstlog	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	Christoph Junghans	Merge "Warnings against equilibrating with P-R P-coupli...	blob \| commitdiff \| raw \| diff to current
2012-03-18	Mark Abraham	Warnings against equilibrating with P-R P-coupling	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
2012-03-13	Christoph Junghans	Merge "Vibration spectra from velocity ACF or Normal...	blob \| commitdiff \| raw \| diff to current
2012-03-09	Roland Schulz	Merge "Improve FindFFTW" 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
2012-02-20	Berk Hess	changed default epsilon-rf value to 0	blob \| commitdiff \| raw \| diff to current
2012-02-11	Szilárd Páll	Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...	blob \| commitdiff \| raw \| diff to current
2012-02-10	Christoph Junghans	Merge "Fixed bug with COM motion removal on part of...	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
2012-02-08	Christoph Junghans	Merge "fixed confusing nonbonded kernel pointer initial...	blob \| commitdiff \| raw \| diff to current
2012-02-06	Berk Hess	Fixed bug with COM motion removal on part of the system	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
2012-02-03	David van der Spoel	Merge "Improved the accuracy of the sd1 integrator...	blob \| commitdiff \| raw \| diff to current
2012-02-02	Szilárd Páll	Merge "Append all ICC Performance flags only to Release...	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
2012-02-02	Berk Hess	Improved the accuracy of the sd1 integrator	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
2012-01-31	Mark Abraham	Merge "Corrected use of ?: in conditional" into release...	blob \| commitdiff \| raw \| diff to current
2012-01-31	Mark Abraham	Made error message even more explicit	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
2011-12-11	Roland Schulz	Merge release-4-5-patches into release-4-6	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
2011-11-27	Roland Schulz	Merge "Fixes inconsistent spelling of Git cmake variabl...	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
2011-11-27	Roland Schulz	Merge "Replace '_' in all mdp options to '-'" into...	blob \| commitdiff \| raw \| diff to current
2011-10-20	Alexey Shvetsov	Replace '_' in all mdp options to '-'	blob \| commitdiff \| raw \| diff to current
2011-09-19	Berk Hess	added grompp check for posres+pcoupl+refcoord_scaling=no	blob \| commitdiff \| raw \| diff to current
2011-07-01	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-06-21	Justin A. Lemkul	Fixed typos.	blob \| commitdiff \| raw \| diff to current
2011-06-21	Justin A. Lemkul	Made grompp fatal error a little more explicit.	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
2011-01-18	Mark Abraham	Improved .mdp file comment about the 'define' field	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
2010-09-30	Berk Hess	changed the grompp charge group radii to always check...	blob \| commitdiff \| raw \| diff to current
2010-09-21	Berk Hess	added check for tau_t<=0 with integrator sd	blob \| commitdiff \| raw \| diff to current
2010-09-20	Per Larsson	Changes to GB non-polar solvation calculations	blob \| commitdiff \| raw \| diff to current
2010-09-16	Berk Hess	tau_t=-1 now works in grompp and with SD	blob \| commitdiff \| raw \| diff to current
2010-09-13	Per Larsson	When using GBSA, the note encouraging PME over plain...	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
2010-08-22	Erik Lindahl	Replaced all occurences of str(n)casecmp with gmx_str...	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 changes for setting nsttcouple	blob \| commitdiff \| raw \| diff to current
2010-08-19	Michael Shirts	Fix for readir.c so that nstpcouple and nsttcouple...	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
2010-08-18	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	Berk Hess	added some comment to group grompp assignment options	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	Teemu Murtola	Fixes for PME-User-Switch.	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
2010-08-08	Berk	moved nstcalcenergy just before nstenergy in mdp, log...	blob \| commitdiff \| raw \| diff to current
2010-08-04	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-04	Berk Hess	grompp automatic nstcalcenergy setting now takes small...	blob \| commitdiff \| raw \| diff to current
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