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

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

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

2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	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
2012-11-19	Roland Schulz	Merge changes Ibc555d88,Iaf6f3051 into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-19	Roland Schulz	Merge "Remove double declaration in headers" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Remove double declaration in headers	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Merge "Removing Zn and Ar non-OPLS atom types" into...	blob \| commitdiff \| raw \| diff to current
2012-11-16	David van der Spoel	Merge "Removes unused files" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-16	Erik Lindahl	SSE2 single-precision kernels	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "auto-set nvcc host compiler with FindMPI detecti...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	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
2012-10-19	Roland Schulz	Merge "[tools] Allow g_dist to use default index group...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Kasson	Merge "renamed constraint variables rmdr to vir_r_m_dr...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Roland Schulz	Merge "renamed pme_switch... to pme_loadbal..." into...	blob \| commitdiff \| raw \| diff to current
2012-10-17	Berk Hess	renamed pme_switch... to pme_loadbal...	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
2012-07-31	Christoph Junghans	Merge "Clarified reasons for termination of EM" into...	blob \| commitdiff \| raw \| diff to current
2012-07-29	Michael Shirts	Fix in when to call the constraints for andersen.	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-24	Michael Shirts	Merge "Fix mdp_opt formatting of expanded ensemble...	blob \| commitdiff \| raw \| diff to current
2012-06-22	Christoph Junghans	Merge "Simple patch for openmm_wrapper.cpp" into releas...	blob \| commitdiff \| raw \| diff to current
2012-06-16	Erik Lindahl	New CPU detection & AVX/SSE code, removed raw assembly...	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	David van der Spoel	Merge "grompp now retains the order of bonds converted...	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
2012-05-24	Teemu Murtola	Merge "Code cleanup to avoid name collisions" into...	blob \| commitdiff \| raw \| diff to current
2012-05-17	Teemu Murtola	Merge "Fixing more clang warnings" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-17	Maarten Wolf	mv membed.h from include to src/kernel	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
2012-05-08	Berk Hess	fixed mdrun -cpi SD and pcoupl initialization	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	David van der Spoel	Merge "[tools] g_sans - splited out fixes and added...	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	fixed the reported temperature with Brownian dynamics	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
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	blob \| commitdiff \| raw \| diff to current
2012-04-25	Berk Hess	fixed initial COM motion removal with multiple groups	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	Mark Abraham	Removed outdated #includes	blob \| commitdiff \| raw \| diff to current
2012-04-17	Mark Abraham	Added Windows-specific #defines, and use them	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
2012-03-15	Christoph Junghans	Merge "Clarified wording of documentation" into release...	blob \| commitdiff \| raw \| diff to current
2012-03-14	Mark Abraham	Changed cryptic error messages about disk quota	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	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
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