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

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

2014-06-10	Erik Lindahl	Process negative sigma correctly with combrule 2 or 3	commit \| commitdiff \| tree
2014-04-07	Erik Lindahl	Make sure water optimization is disabled for esoteric...	commit \| commitdiff \| tree
2013-09-25	Erik Lindahl	Fix bug in (long) neighborlist SIMD padding when adding...	commit \| commitdiff \| tree
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree
2013-01-18	Erik Lindahl	Merge "remove unnecessary cmake messages" into release-4-6	commit \| commitdiff \| tree
2013-01-18	Erik Lindahl	Merge "fix OpenMP detection on Mac OS broken by a6fee0b...	commit \| commitdiff \| tree
2013-01-16	Erik Lindahl	Fixed GB interactions for release-4-6	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "made SHAKE work again with particle decompostion...	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Added basic CPU topology information to cpuid code	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixed flop-accounting for periodic improper dihedrals	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Disallow the use of Clang to compile AVX_128_FMA	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Remove broken g_dih tool	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Revert default rlist/rvdw/rcoulomb to valid values...	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixes SSE/AVX compilation under Windows	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Merge "Corrected gmxcheck output for Gromos96 bonds...	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Added work-around for gcc bug in AVX intrinsincs formal...	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Add check to remove zero Charmm dihedrals	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Do not always add -msse2 to release flags for icc	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Fixed GMXRC so we are not polluting standard shell...	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Merge "Thread-MPI fixes for i386 llvm & simplification...	commit \| commitdiff \| tree
2012-12-27	Erik Lindahl	Fixed error message for zwitterion residues	commit \| commitdiff \| tree
2012-12-21	Erik Lindahl	Fixed gmx_cpuid not working on non-x86	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "cmake: added option to disable quotes" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Small fix for g_tune_pme" into release-4-6	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Fixes for andersen temperature control" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Fixes for expanded ensemble and HREPEX" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Fixed AVX256 double-precision kernels for gcc	commit \| commitdiff \| tree
2012-11-29	Erik Lindahl	Double precision AVX-256 kernels	commit \| commitdiff \| tree
2012-11-29	Erik Lindahl	Double precision AVX_128_FMA kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	SSE4.1 double precision kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	Double precision SSE2 kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	Ported back some AVX256 optimizations to SSE2/SSE4...	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	128-bit AVX kernels, with FMA instructions for Opteron...	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Nonbonded group kernels for 256-bit AVX (Intel CPUs)	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Merge "Added affinity support check, visibility macros...	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Merge "fixed bug in nbnxn OpenMP non-bonded force reduction...	commit \| commitdiff \| tree
2012-11-26	Erik Lindahl	Merge "Use stat for gmx_is_file. Fix get_libdir with...	commit \| commitdiff \| tree
2012-11-26	Erik Lindahl	Merge "Extended build information output and reference...	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fix for icc 13 optimization-related issue and TIP4P...	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Implemented RMS-based force tolerance in gmxcheck	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fixed LJ-14 error in free energy	commit \| commitdiff \| tree
2012-11-19	Erik Lindahl	SSE4.1 single-precision kernels	commit \| commitdiff \| tree
2012-11-16	Erik Lindahl	SSE2 single-precision kernels	commit \| commitdiff \| tree
2012-11-13	Erik Lindahl	Removed some unnecessary instructions, and fixed a...	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed old (now unused) bluegene kernels.	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed unused old kernel generator	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran/Power6 kernels	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran kernels	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Fixed bug in the new switch-modified interactions in...	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Allow rcoulomb=rlistlong for PME with nstcalclr=1	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	commit \| commitdiff \| tree
2012-06-21	Erik Lindahl	Fixed gcc inline assembly issue with PIC and older...	commit \| commitdiff \| tree
2012-06-16	Erik Lindahl	New CPU detection & AVX/SSE code, removed raw assembly...	commit \| commitdiff \| tree
2011-09-16	Erik Lindahl	Merge "made allocation for LINCS with particle decomposition...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Introduced different options for pdb2gmx termini introductio...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Fixed incorrection AmberGS force field (redmine #728)	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree
2011-01-30	Erik Lindahl	Improved PBC handling for large molecules during cluster PBC	commit \| commitdiff \| tree
2011-01-30	Erik Lindahl	Fixed the pbc cluster option of trjconv by switching...	commit \| commitdiff \| tree
2010-10-09	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-10-09	Erik Lindahl	Fixed uninitialized variable warning in grompp.c	commit \| commitdiff \| tree
2010-09-01	Erik Lindahl	Removed lots of unnecessary messages to stdout from...	commit \| commitdiff \| tree
2010-09-01	Erik Lindahl	Added Gerrit to the list of authors. Sorry for forgetting...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Made the options program for the latex manual compile...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Fixed typo in src/contrib/Makefile.am	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Fixed incorrect call to gmx_finalize() in gmx_pme_error()	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Added final newline to avoid compiler warning in sfactor.h	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Added Cpack support	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Added label writing capability to editconf when used...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Added check for <2 frames when autocorrelation is requested...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Moved buggy and unsupported g_sdf to contrib directory...	commit \| commitdiff \| tree
2010-08-30	Erik Lindahl	Improved handling of include paths in gmxcpp from Teemu	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Added longer list of authors...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Added check for SSE2 support to use generalized born...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Added trjconv check for topology prescence, see bugzilla 526	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Fixed gmxcpp to always use unix path separators in...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Fixed another uninitialized variable warning in gmx_energy.c	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Add current path (./) to topol.top include when force...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Dont write EOF warnings to stdout every time we checkpoint...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-27	Erik Lindahl	Fixed first statemement occuring before variable declaration...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Modified pdb2gmx to automatically pick the force field...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Fixed pointer typo in patch from Alexey Shvetsov	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Added PBC checking patch to g_cluster from Alexey Shvetsov...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Modified pdb2gmx to not accept extra hydrogen atoms...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	true/false input settings should be called bool instead...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Revert "Made pdb2gmx be slightly more helpful when...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Updated completions for 4.5 release	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Made /usr/local/gromacs default installation path in...	commit \| commitdiff \| tree
2010-08-26	Erik Lindahl	Updated html documentation for release 4.5	commit \| commitdiff \| tree
next

Local GROMACS mirror with custom stuff

RSS Atom