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

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

2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-08-15	Mark Abraham	Fix value of Ewald shift	commit \| commitdiff \| tree \| snapshot
2017-08-06	Mark Abraham	Removed unused host-side allocation code	commit \| commitdiff \| tree \| snapshot
2017-08-03	Berk Hess	Fix orientation restraint reference	commit \| commitdiff \| tree \| snapshot
2017-08-03	Berk Hess	Add check for nr of orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-08-03	Berk Hess	Fix bugs with orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-08-03	Carsten Kutzner	Added missing .mdp file documentation for the enforced...	commit \| commitdiff \| tree \| snapshot
2017-07-11	Vedran Miletić	Fix formatting of gmx msd Description	commit \| commitdiff \| tree \| snapshot
2017-06-28	Mark Abraham	Fix specification for gcc-6	commit \| commitdiff \| tree \| snapshot
2017-06-27	Mark Abraham	Minor improvements to test configs	commit \| commitdiff \| tree \| snapshot
2017-06-23	Carsten Kutzner	Fixed #2206 IMD interface malfunctions	commit \| commitdiff \| tree \| snapshot
2017-06-20	Szilárd Páll	Re-enable accidentally lost DD warning	commit \| commitdiff \| tree \| snapshot
2017-06-16	Carsten Kutzner	Fixed a consistency check in make_edi for flooding	commit \| commitdiff \| tree \| snapshot
2017-06-12	Berk Hess	Disable PME tuning with the group scheme	commit \| commitdiff \| tree \| snapshot
2017-06-12	Berk Hess	Fix null pointer print in DD	commit \| commitdiff \| tree \| snapshot
2017-06-08	Berk Hess	Fix COM pull force with SD	commit \| commitdiff \| tree \| snapshot
2017-06-07	Vedran Miletić	Document floating-point arithmetic	commit \| commitdiff \| tree \| snapshot
2017-06-07	Vedran Miletić	Expand Performance section of the user guide	commit \| commitdiff \| tree \| snapshot
2017-06-07	Szilárd Páll	Suppress sm_2x deprecation warning with CUDA 8.0	commit \| commitdiff \| tree \| snapshot
2017-06-05	Szilárd Páll	Add CUDA 8.0 + SIMD pre-submit test	commit \| commitdiff \| tree \| snapshot
2017-06-02	Berk Hess	Fix initial temperature reporting	commit \| commitdiff \| tree \| snapshot
2017-05-30	Mark Abraham	Fix NVML error messages	commit \| commitdiff \| tree \| snapshot
2017-05-29	Jiri Kraus	Update FindNVML to fix #2061	commit \| commitdiff \| tree \| snapshot
2017-05-29	Vedran Miletić	Standardize use of \|Gromacs\| in reST docs	commit \| commitdiff \| tree \| snapshot
2017-05-26	Mark Abraham	Test invsixthroot function as intended	commit \| commitdiff \| tree \| snapshot
2017-05-15	Mark Abraham	Updated use of gcc-5 specifiers	commit \| commitdiff \| tree \| snapshot
2017-05-15	Berk Hess	Fix LJPME + switch grompp error	commit \| commitdiff \| tree \| snapshot
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree \| snapshot
2017-05-14	Berk Hess	Fix bugs in double Simd4 implementations	commit \| commitdiff \| tree \| snapshot
2017-05-09	Mark Abraham	Fix formatting of MKL cmake docs	commit \| commitdiff \| tree \| snapshot
2017-04-21	Berk Hess	Fix bugs in double AVX(2)_256 Simd4	commit \| commitdiff \| tree \| snapshot
2017-04-19	Berk Hess	Fix unused SIMD PME table kernel	commit \| commitdiff \| tree \| snapshot
2017-04-17	Erik Lindahl	Fixed AVX-512F compiler flags	commit \| commitdiff \| tree \| snapshot
2017-04-17	Mark Abraham	Propose a post-submit matrix	commit \| commitdiff \| tree \| snapshot
2017-04-10	Vedran Miletić	Really enable avx512 in fftw only for select compilers	commit \| commitdiff \| tree \| snapshot
2017-04-06	Teemu Murtola	Fix memory access issues in gmx solvate	commit \| commitdiff \| tree \| snapshot
2017-03-29	Mark Abraham	Fix parameter description for dihedral_restraints	commit \| commitdiff \| tree \| snapshot
2017-03-22	Mark Abraham	Add section to user guide for managing simulations	commit \| commitdiff \| tree \| snapshot
2017-03-19	Mark Abraham	Fix string handling for gcc 7	commit \| commitdiff \| tree \| snapshot
2017-03-16	Berk Hess	Replace instance of group by coord in pull mdp docs	commit \| commitdiff \| tree \| snapshot
2017-03-14	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree \| snapshot
2017-03-13	Mark Abraham	Version 2016.3	commit \| commitdiff \| tree \| snapshot
2017-03-13	Ake Sandgren	Fix tune_pme detection of GPU support	commit \| commitdiff \| tree \| snapshot
2017-03-13	Ake Sandgren	Fix spacing in tune_pme call to thread-mpi mdrun	commit \| commitdiff \| tree \| snapshot
2017-03-11	Teemu Murtola	Update copyright year for gmx -version	commit \| commitdiff \| tree \| snapshot
2017-03-09	Szilárd Páll	Fix mdrun hanging upon exit with sep PME ranks	commit \| commitdiff \| tree \| snapshot
2017-03-07	Mark Abraham	Fix minor issues in gmx traj -av -af	commit \| commitdiff \| tree \| snapshot
2017-03-04	David van der...	Removes rogue printing to xvg file in gmx mindist	commit \| commitdiff \| tree \| snapshot
2017-03-04	Mark Abraham	Fixes for xl compilers 13.1.5 on Power8	commit \| commitdiff \| tree \| snapshot
2017-03-04	Vedran Miletić	Document that we now support AMD GCN on Mesa/LLVM	commit \| commitdiff \| tree \| snapshot
2017-03-01	Vedran Miletić	Enable avx512 in fftw only if compiler supports it	commit \| commitdiff \| tree \| snapshot
2017-02-28	Gerrit Code...	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-02-27	David van der...	Fixes bug in gmx solvate with -shell that yielded 0...	commit \| commitdiff \| tree \| snapshot
2017-02-25	Michael Shirts	Fix for an incorrect check that nstlog !=0	commit \| commitdiff \| tree \| snapshot
2017-02-23	Roland Schulz	Fix compile of GMX_SIMD=None with ICC	commit \| commitdiff \| tree \| snapshot
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-02-14	Mark Abraham	Fix handling of previous virials	commit \| commitdiff \| tree \| snapshot
2017-02-10	Mark Abraham	Corrected output of gmx do_dssp -sc	commit \| commitdiff \| tree \| snapshot
2017-02-09	Erik Lindahl	Work around false xlc-13.1.5 bug in SIMD test	commit \| commitdiff \| tree \| snapshot
2017-02-08	Mark Abraham	Remove docs for unimplemented trjconv -clustercenter	commit \| commitdiff \| tree \| snapshot
2017-02-07	Vedran Miletić	Document running Clang static analyzer manually	commit \| commitdiff \| tree \| snapshot
2017-02-07	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree \| snapshot
2017-02-07	Mark Abraham	Introduced system preparation section to user guide	commit \| commitdiff \| tree \| snapshot
2017-02-07	Mark Abraham	Version 2016.2	commit \| commitdiff \| tree \| snapshot
2017-02-07	Berk Hess	Add mdp option check with decoupled modes	commit \| commitdiff \| tree \| snapshot
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-02-03	David van der...	Fixes SEGV in gmx order.	commit \| commitdiff \| tree \| snapshot
2017-02-02	Mark Abraham	Clarify use of tau-p and pcoupltype	commit \| commitdiff \| tree \| snapshot
2017-02-02	Berk Hess	Really fix array of complex in cross_corr	commit \| commitdiff \| tree \| snapshot
2017-02-02	Berk Hess	Fix array of complex in cross_corr	commit \| commitdiff \| tree \| snapshot
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-01-30	Mark Abraham	Fix multi-domain reruns	commit \| commitdiff \| tree \| snapshot
2017-01-30	Mark Abraham	Don't print invalid performance data	commit \| commitdiff \| tree \| snapshot
2017-01-22	Mark Abraham	Fixed gmx rmsf -q -oq.	commit \| commitdiff \| tree \| snapshot
2017-01-20	Berk Hess	Disallow overwriting of dihedral type 9	commit \| commitdiff \| tree \| snapshot
2017-01-17	Berk Hess	Correct assert on pme-order	commit \| commitdiff \| tree \| snapshot
2017-01-05	Roland Schulz	Supress ICC 16 on Windows false postives	commit \| commitdiff \| tree \| snapshot
2017-01-05	Berk Hess	Fix flat-bottom position restraints + DD + OpenMP	commit \| commitdiff \| tree \| snapshot
2017-01-05	Aleksei Iupinov	Fix compilation with CMAKE_CXX_FLAGS="-Wall -Werror"	commit \| commitdiff \| tree \| snapshot
2017-01-05	Gerrit Code...	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-01-04	Mark Abraham	Stop trying to use objdump --reloc on Mac	commit \| commitdiff \| tree \| snapshot
2017-01-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2016-12-20	Mark Abraham	Corrected documentation about eigenvalue handling	commit \| commitdiff \| tree \| snapshot
2016-12-20	Mark Abraham	Improve build system for plugin support	commit \| commitdiff \| tree \| snapshot
2016-12-15	M. Eric Irrgang	Fix syntax in cmake status message	commit \| commitdiff \| tree \| snapshot
2016-12-15	Vedran Miletić	Improve include sorter error reporting	commit \| commitdiff \| tree \| snapshot
2016-12-15	Mark Abraham	Handle warninp correctly in xpm2ps and membed	commit \| commitdiff \| tree \| snapshot
2016-12-14	Mark Abraham	Fix misleading parallelization docs for gmx wham	commit \| commitdiff \| tree \| snapshot
2016-12-14	Berk Hess	Add bonded #thread runtime check	commit \| commitdiff \| tree \| snapshot
2016-12-10	Teemu Murtola	Build scripts for improved release workflow	commit \| commitdiff \| tree \| snapshot
2016-12-09	Mark Abraham	Fix logic of TRR reading	commit \| commitdiff \| tree \| snapshot
2016-12-09	Szilárd Páll	Turn off hwloc support when static lib found	commit \| commitdiff \| tree \| snapshot
2016-12-08	Teemu Murtola	Fix possible memory error with long selections	commit \| commitdiff \| tree \| snapshot
2016-12-08	Vedran Miletić	Make editconf B-factor attachment more useful in practice	commit \| commitdiff \| tree \| snapshot
2016-12-07	Teemu Murtola	Fix use of position variables with plus/merge	commit \| commitdiff \| tree \| snapshot
2016-12-07	Mark Abraham	Fix memory handling in gmx dump of TNG files	commit \| commitdiff \| tree \| snapshot
2016-12-05	Mark Abraham	Remove undue narrowing of integer in TNG reading	commit \| commitdiff \| tree \| snapshot
2016-12-01	Mark Abraham	Fix minor trjconv bug	commit \| commitdiff \| tree \| snapshot
2016-11-29	Teemu Murtola	Additional selection help	commit \| commitdiff \| tree \| snapshot
2016-11-17	Szilárd Páll	Correct kernel launch bounds for CUDA sm_60	commit \| commitdiff \| tree \| snapshot
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