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

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

2017-12-21	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-12-21	Mark Abraham	Bump minor version for theoretical new release	commit \| commitdiff \| tree \| snapshot
2017-12-21	Mark Abraham	Version 5.1.5	commit \| commitdiff \| tree \| snapshot
2017-12-14	Mark Abraham	Avoid confusing message at end of non-dynamical runs	commit \| commitdiff \| tree \| snapshot
2017-12-14	Berk Hess	Require -ntmpi with setting -ntomp with GPUs	commit \| commitdiff \| tree \| snapshot
2017-12-11	Paul Bauer	Fewer messages when -cpi file is not present	commit \| commitdiff \| tree \| snapshot
2017-12-11	Paul Bauer	Disallow combination of PME-user and verlet cutoff	commit \| commitdiff \| tree \| snapshot
2017-11-28	Berk Hess	Update documention of Nose-Hoover output	commit \| commitdiff \| tree \| snapshot
2017-11-28	Berk Hess	Extend grompp missing energy term message	commit \| commitdiff \| tree \| snapshot
2017-11-10	Berk Hess	Fix genion charge summation accuracy	commit \| commitdiff \| tree \| snapshot
2017-11-02	Berk Hess	Add missing Ewald correction for pme-user	commit \| commitdiff \| tree \| snapshot
2017-11-01	Mark Abraham	Fix thread-MPI rank choice for orientation restraints	commit \| commitdiff \| tree \| snapshot
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	commit \| commitdiff \| tree \| snapshot
2017-10-29	Berk Hess	Remove incorrect comment for CHARMM tips3p	commit \| commitdiff \| tree \| snapshot
2017-10-24	Berk Hess	Fix gmx check for tprs with different #atoms	commit \| commitdiff \| tree \| snapshot
2017-10-23	Berk Hess	Fix incorrect dV/dlambda for walls	commit \| commitdiff \| tree \| snapshot
2017-10-20	Mark Abraham	Clarify docs for Fmax in EM	commit \| commitdiff \| tree \| snapshot
2017-10-20	Berk Hess	Fix warning for confout with periodic molecules	commit \| commitdiff \| tree \| snapshot
2017-10-19	Szilárd Páll	Disable OpenMP with clang 3.4 post-submit config	commit \| commitdiff \| tree \| snapshot
2017-10-17	David van der...	Fixed missing entries in nrnb arrays.	commit \| commitdiff \| tree \| snapshot
2017-09-23	Berk Hess	Fix grompp with Andersen massive and no COM removal	commit \| commitdiff \| tree \| snapshot
2017-09-21	Vedran Miletić	Document t_commrec struct	commit \| commitdiff \| tree \| snapshot
2017-09-15	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree \| snapshot
2017-09-15	Mark Abraham	Version 2016.4	commit \| commitdiff \| tree \| snapshot
2017-09-14	Berk Hess	Fix nbnxn SIMD 2xNN PME tabulated kernel	commit \| commitdiff \| tree \| snapshot
2017-09-12	Berk Hess	Fix exception in SIMD LJ PME solve	commit \| commitdiff \| tree \| snapshot
2017-09-11	Szilárd Páll	NVIDIA Volta performance tweaks	commit \| commitdiff \| tree \| snapshot
2017-09-11	Berk Hess	Fix PBC bugs in the swap code	commit \| commitdiff \| tree \| snapshot
2017-09-09	Berk Hess	Avoid inf in SIMD double sqrt()	commit \| commitdiff \| tree \| snapshot
2017-09-07	Mark Abraham	Enable group-scheme SIMD kernels on recent AVX extensions	commit \| commitdiff \| tree \| snapshot
2017-09-07	Berk Hess	Fix FEP state with rerun	commit \| commitdiff \| tree \| snapshot
2017-09-05	Christoph Junghans	Supported quiet trajectory-handling I/O	commit \| commitdiff \| tree \| snapshot
2017-09-05	Mark Abraham	Fixes for Solaris	commit \| commitdiff \| tree \| snapshot
2017-09-04	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-09-03	Mark Abraham	Fix compiler flags for using MKL	commit \| commitdiff \| tree \| snapshot
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-08-25	Mark Abraham	Fix flat-bottomed position restraints with multiple...	commit \| commitdiff \| tree \| snapshot
2017-08-21	Mark Abraham	Fix compilation issues with ARM SIMD	commit \| commitdiff \| tree \| snapshot
2017-08-18	Vedran Miletić	Improve the "files not present" error message	commit \| commitdiff \| tree \| snapshot
2017-08-17	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree \| snapshot
2017-08-15	Vedran Miletić	Migrate some of the terminology pages	commit \| commitdiff \| tree \| snapshot
2017-08-15	Vedran Miletić	Migrate the documentation of the run-time errors	commit \| commitdiff \| tree \| snapshot
2017-08-15	David van der...	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree \| snapshot
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree \| snapshot
2017-08-15	Jiri Kraus	CUDA 9/Volta support for the nonbonded module	commit \| commitdiff \| tree \| snapshot
2017-08-15	Mark Abraham	Fix value of Ewald shift	commit \| commitdiff \| tree \| snapshot
2017-08-10	Carsten Kutzner	Corrected the PDF manual to reflect that all tools...	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
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