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

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

2015-07-26	Mark Abraham	Stop mdrun printing potentially undefined value	commit \| commitdiff \| tree \| snapshot
2015-07-26	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree \| snapshot
2015-07-24	Mark Abraham	Version 5.0.6	commit \| commitdiff \| tree \| snapshot
2015-07-19	Mark Abraham	Update advice about grompp -t	commit \| commitdiff \| tree \| snapshot
2015-07-17	Carlo Camilloni	Fixed gmx sasa output residue numbering	commit \| commitdiff \| tree \| snapshot
2015-07-08	Mark Abraham	Give bTypePerturbed a valid initial value	commit \| commitdiff \| tree \| snapshot
2015-07-08	Mark Abraham	Fix grompp .edr IO estimate for free-energy calcs	commit \| commitdiff \| tree \| snapshot
2015-07-08	Roland Schulz	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-07-06	Berk Hess	Fix bug in GPU list balancing	commit \| commitdiff \| tree \| snapshot
2015-07-04	Teemu Murtola	Fix copy-paste bug in gmx distance	commit \| commitdiff \| tree \| snapshot
2015-06-29	Erik Lindahl	Fix bugs in gmx dos	commit \| commitdiff \| tree \| snapshot
2015-06-29	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-06-29	Erik Lindahl	Fix bug removing multiple dihedrals in main rtp entries	commit \| commitdiff \| tree \| snapshot
2015-06-29	Szilard Pall	Fix CUDA inter-stream synchronization issue	commit \| commitdiff \| tree \| snapshot
2015-06-27	Erik Lindahl	Fix single-prec. softcore issue in 4.6 branch	commit \| commitdiff \| tree \| snapshot
2015-06-26	Berk Hess	Fixed Verlet buffer issue with 2-wide SIMD	commit \| commitdiff \| tree \| snapshot
2015-06-26	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-06-26	Erik Lindahl	Fix buffer size issues in string database	commit \| commitdiff \| tree \| snapshot
2015-06-26	Mark Abraham	Fix mdrun -confout sometimes affecting final .edr frame	commit \| commitdiff \| tree \| snapshot
2015-06-25	Erik Lindahl	Fix edr appending and exact continuation	commit \| commitdiff \| tree \| snapshot
2015-06-25	Erik Lindahl	Fix binary exact continuation for trajectories	commit \| commitdiff \| tree \| snapshot
2015-06-24	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-06-24	Erik Lindahl	Avoid accessing hackblocks for x2top	commit \| commitdiff \| tree \| snapshot
2015-06-23	Erik Lindahl	Removed buggy -smooth hack in hbond module	commit \| commitdiff \| tree \| snapshot
2015-06-22	Berk Hess	Fix g_energy average/RMSD bug	commit \| commitdiff \| tree \| snapshot
2015-06-22	Erik Lindahl	Use MPI_THREAD_FUNNELED when available	commit \| commitdiff \| tree \| snapshot
2015-06-22	Erik Lindahl	Fix segfault in random access XTC searching	commit \| commitdiff \| tree \| snapshot
2015-06-22	Erik Lindahl	Fix argument order error for g_rmsdist	commit \| commitdiff \| tree \| snapshot
2015-06-22	Erik Lindahl	Fix gro errors with PDB insertion codes	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Updated docs for g_gyrate	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Fix potential buffer overflow in pdb2gmx	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Disallow infinite epsilon with PME or GB.	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Remove GMX_MAX_MPI_THREADS	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Fix reproducibility bug in fft5d	commit \| commitdiff \| tree \| snapshot
2015-06-20	Erik Lindahl	Handle multidir/multisim with single argument correctly	commit \| commitdiff \| tree \| snapshot
2015-06-19	Erik Lindahl	Fix incorrect shift with g_density -center	commit \| commitdiff \| tree \| snapshot
2015-06-16	Mark Abraham	Stop people installing into the build tree	commit \| commitdiff \| tree \| snapshot
2015-06-16	Mark Abraham	Fix pairs_nb not recognized as part of moleculetype	commit \| commitdiff \| tree \| snapshot
2015-06-11	Mark Abraham	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree \| snapshot
2015-06-09	Mark Abraham	Document limitations of trjconv -dump	commit \| commitdiff \| tree \| snapshot
2015-06-09	Mark Abraham	Merge branch release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-06-08	Szilard Pall	add last two GROMACS paper citations	commit \| commitdiff \| tree \| snapshot
2015-06-06	Roland Schulz	Use stat to check that paths are equivalent	commit \| commitdiff \| tree \| snapshot
2015-06-05	Berk Hess	Don't use PME ranks with GPUs and -npme=-1	commit \| commitdiff \| tree \| snapshot
2015-05-30	Roland Schulz	Work-around for ICC 15 on Phi	commit \| commitdiff \| tree \| snapshot
2015-05-26	Roland Schulz	Don't set CFLAGS for Phi in toolchain	commit \| commitdiff \| tree \| snapshot
2015-05-26	Mark Abraham	Fix use of hard-coded temporary filename	commit \| commitdiff \| tree \| snapshot
2015-05-23	Mark Abraham	Fix misuse of gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree \| snapshot
2015-05-22	Teemu Murtola	Avoid crash with empty reference for 'same as' selection	commit \| commitdiff \| tree \| snapshot
2015-05-20	Teemu Murtola	Fix handling of real-valued 'to' selection ranges	commit \| commitdiff \| tree \| snapshot
2015-05-16	Mark Abraham	Suppress GCC5 warnings with internal Boost	commit \| commitdiff \| tree \| snapshot
2015-05-15	Szilard Pall	Assert the size of non-bonded GPU work units	commit \| commitdiff \| tree \| snapshot
2015-05-14	Mark Abraham	Fix own-FFTW build	commit \| commitdiff \| tree \| snapshot
2015-05-14	Szilard Pall	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-05-13	Berk Hess	Fixed CUDA error with empty domains	commit \| commitdiff \| tree \| snapshot
2015-05-13	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree \| snapshot
2015-05-13	Mark Abraham	Version 5.0.5	commit \| commitdiff \| tree \| snapshot
2015-05-13	Berk Hess	Fix segv in g_covar	commit \| commitdiff \| tree \| snapshot
2015-05-13	Szilard Pall	Fix auto-downloaded regression test execution	commit \| commitdiff \| tree \| snapshot
2015-05-13	Roland Schulz	Facilitate linking of static binaries	commit \| commitdiff \| tree \| snapshot
2015-05-12	Mark Abraham	Fix uninitialized fields in grompp t_state	commit \| commitdiff \| tree \| snapshot
2015-05-12	Rossen Apostolov	Added a note about sc-coul being auto turned on.	commit \| commitdiff \| tree \| snapshot
2015-05-11	Mark Abraham	Work around gcc 5 warnings with Google Test	commit \| commitdiff \| tree \| snapshot
2015-05-11	Berk Hess	Changed FFTW warning from AVX to no SSE	commit \| commitdiff \| tree \| snapshot
2015-05-06	Mark Abraham	Fixed recently-introduced couple-lambda warning message	commit \| commitdiff \| tree \| snapshot
2015-05-06	Szilárd Páll	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-05-06	Mark Abraham	Fix SIMD unit tests on BG/Q	commit \| commitdiff \| tree \| snapshot
2015-05-05	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-05-05	Teemu Murtola	Avoid rounding errors affecting results in one test	commit \| commitdiff \| tree \| snapshot
2015-05-05	Justin Lemkul	Fix for trjconv preserving box dimensions.	commit \| commitdiff \| tree \| snapshot
2015-05-04	Berk Hess	Fixed GPU non-local F copy local conditional	commit \| commitdiff \| tree \| snapshot
2015-04-30	Olivier Fisette	Fix error handling in gmx_tmpnam	commit \| commitdiff \| tree \| snapshot
2015-04-30	Michael Shirts	Fix for rarely occuring replica exchange error.	commit \| commitdiff \| tree \| snapshot
2015-04-28	Berk Hess	Re-enabled FMA for AVX-128-FMA	commit \| commitdiff \| tree \| snapshot
2015-04-17	Berk Hess	Correct -ntmpi auto for intel nehalem and older	commit \| commitdiff \| tree \| snapshot
2015-04-09	David van der...	Clarified comments for time-dependent electric fields.	commit \| commitdiff \| tree \| snapshot
2015-04-08	David van der...	Fixed incorrect output of gb_algorith as sa_algorithm.	commit \| commitdiff \| tree \| snapshot
2015-04-01	Berk Hess	Corrected force-switch manual section	commit \| commitdiff \| tree \| snapshot
2015-03-19	Mark Abraham	Made error message more generic	commit \| commitdiff \| tree \| snapshot
2015-03-17	Roland Schulz	Fix linking with static libxml2	commit \| commitdiff \| tree \| snapshot
2015-03-05	Mark Abraham	Fix Andersen thermostats	commit \| commitdiff \| tree \| snapshot
2015-02-24	Ake Sandgren	The test for HAVE_CXX11_REGEX fails since it doesn...	commit \| commitdiff \| tree \| snapshot
2015-02-24	Ake Sandgren	Checks should use correct CMAKE_REQUIRED_ variables	commit \| commitdiff \| tree \| snapshot
2015-02-14	Erik Marklund	gmx hbond no longer removes PBC when none is present	commit \| commitdiff \| tree \| snapshot
2015-02-12	Vedran Miletić	Fix removal of symlinks created during installation	commit \| commitdiff \| tree \| snapshot
2015-02-12	Roland Schulz	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree \| snapshot
2015-02-12	Berk Hess	Re-fixed PME bug with high OpenMP thread count	commit \| commitdiff \| tree \| snapshot
2015-02-04	Berk Hess	Correct CUDA kernel energy flag	commit \| commitdiff \| tree \| snapshot
2015-02-02	Mark Abraham	Avoid near-silent generation of zero energies	commit \| commitdiff \| tree \| snapshot
2015-02-02	Mark Abraham	Fix use of simd.h	commit \| commitdiff \| tree \| snapshot
2015-01-23	Mark Abraham	Update FindCUDA work-around	commit \| commitdiff \| tree \| snapshot
2015-01-21	Berk Hess	Corrected RDTSCP warning text	commit \| commitdiff \| tree \| snapshot
2015-01-16	Mark Abraham	Fix BlueGene/Q build with recent CMake	commit \| commitdiff \| tree \| snapshot
2015-01-15	Berk Hess	Fix allocation issue with VV integrator	commit \| commitdiff \| tree \| snapshot
2015-01-14	Mark Abraham	Fix and suppress warnings on BlueGene/Q	commit \| commitdiff \| tree \| snapshot
2015-01-08	Mark Abraham	Handle ivec* correctly in DD error message	commit \| commitdiff \| tree \| snapshot
2014-12-22	Berk Hess	Fixed pbc=xy + 2 walls + Verlet scheme	commit \| commitdiff \| tree \| snapshot
2014-12-22	Berk Hess	Fix bug FE + GPU + 2/3D domain decomposition	commit \| commitdiff \| tree \| snapshot
2014-12-18	Roland Schulz	Fix CMP0054 cmake 3.1.0 warnings	commit \| commitdiff \| tree \| snapshot
2014-12-15	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree \| snapshot
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