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

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

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

2013-09-21	Berk Hess	fixed multiple distance restraints with OpenMP	blob \| commitdiff \| raw
2013-06-20	Michael Shirts	Fixing a problem when dhdl and replex are not multiples	blob \| commitdiff \| raw \| diff to current
2013-06-03	Berk Hess	fixed deadlock with replica exchange and -maxh	blob \| commitdiff \| raw \| diff to current
2013-05-30	Michael Shirts	Fixing the constraint dhdl term in shake	blob \| commitdiff \| raw \| diff to current
2013-05-21	Michael Shirts	Fixed problem with bond constraint dhdl being left out	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	Berk Hess	fixed issues with FEP soft-core and cut-off's	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
2013-02-15	Michael Shirts	bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttc...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "Minor fixes to Verlet kernels" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "improved PME load balancing reporting" into...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "Unwinds flag dependencies in g_order." into...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "use legacy CUDA non-bonded kernels only on Fermi...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Berk Hess	improved PME load balancing reporting	blob \| commitdiff \| raw \| diff to current
2013-02-13	Roland Schulz	Merge "improve setup of multiple tf tables" into releas...	blob \| commitdiff \| raw \| diff to current
2013-02-13	Roland Schulz	Merge "Updated FindGSL.cmake to version written by...	blob \| commitdiff \| raw \| diff to current
2013-02-12	Mark Abraham	Merge "PME-only counters are now reset with -maxh ...	blob \| commitdiff \| raw \| diff to current
2013-02-01	Berk Hess	PME-only counters are now reset with -maxh -resethway	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 "Remove unnecessary ICC flags affecting performan...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "improved CUDA kernel performance by pre-loading...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "Added note about make_edi and flooding in ED...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "use the compiler version provided by CMake ...	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	Christoph Junghans	Merge "note the reason for auto-disabling GPU support...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Roland Schulz	Merge "clarify wording of GPU driver-related notes...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Sander Pronk	Fixes to free energy code, output & g_bar compatibility.	blob \| commitdiff \| raw \| diff to current
2013-01-16	Michael Shirts	fixes issues with pressure control and infrequent evalu...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Sander Pronk	Merge "Continuation of documentation for expanded ensem...	blob \| commitdiff \| raw \| diff to current
2013-01-13	Roland Schulz	Merge "Fixes for md-vv and rerun" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-13	Michael Shirts	Fixes for md-vv and rerun	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
2012-12-20	Erik Lindahl	Merge "Fixes for andersen temperature control" into...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Fixes for expanded ensemble and HREPEX" into...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Christoph Junghans	Merge "Fixed AVX256 double-precision kernels for gcc...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Michael Shirts	Fixes for andersen temperature control	blob \| commitdiff \| raw \| diff to current
2012-12-20	Michael Shirts	Fixes for expanded ensemble and HREPEX	blob \| commitdiff \| raw \| diff to current
2012-12-20	Michael Shirts	Fix for the pressure in MTTK with constraints + dispersion	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
2012-11-20	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
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