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

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

2015-03-05	Berk Hess	SIMD acceleration for LINCS	commit \| commitdiff \| tree \| snapshot
2015-03-04	Berk Hess	Allow pull groups of 1 atom with mass 0	commit \| commitdiff \| tree \| snapshot
2015-03-04	Berk Hess	COM pulling options per coord, improved cylinder	commit \| commitdiff \| tree \| snapshot
2015-03-04	Roland Schulz	Fix GCC5 warnings	commit \| commitdiff \| tree \| snapshot
2015-03-03	Mark Abraham	Re-implement gmx tune_pme -cpi	commit \| commitdiff \| tree \| snapshot
2015-03-03	Erik Lindahl	Added single-accuracy SIMD double math functions	commit \| commitdiff \| tree \| snapshot
2015-03-03	Roland Schulz	nbnxn utils performance improvement for Phi	commit \| commitdiff \| tree \| snapshot
2015-03-03	Berk Hess	Fix div by zero in PP/PME ratio	commit \| commitdiff \| tree \| snapshot
2015-03-03	Mark Abraham	Move mdrun signalling code	commit \| commitdiff \| tree \| snapshot
2015-03-03	Mark Abraham	Add test that plain multi-simulation works	commit \| commitdiff \| tree \| snapshot
2015-03-02	David van der...	Updated documentation for electric fields.	commit \| commitdiff \| tree \| snapshot
2015-03-02	Berk Hess	Added parentheses for casts in SIMD macros	commit \| commitdiff \| tree \| snapshot
2015-03-02	Roland Schulz	Don't search installation prefix if binary is not found	commit \| commitdiff \| tree \| snapshot
2015-03-02	Mark Abraham	Run replica-exchange tests with MPI enabled	commit \| commitdiff \| tree \| snapshot
2015-03-02	Mark Abraham	Add infrastructure for running MPI integration tests	commit \| commitdiff \| tree \| snapshot
2015-02-25	Roland Schulz	C++ conversion for PME spread/gather	commit \| commitdiff \| tree \| snapshot
2015-02-25	Mark Abraham	New and reorganized documentation	commit \| commitdiff \| tree \| snapshot
2015-02-25	Mark Abraham	Add content to user guide	commit \| commitdiff \| tree \| snapshot
2015-02-25	Mark Abraham	Split pme.c into multiple files	commit \| commitdiff \| tree \| snapshot
2015-02-25	Mark Abraham	Add mdp-options to user guide	commit \| commitdiff \| tree \| snapshot
2015-02-24	Berk Hess	Fixed parallel distribution and thread count reporting	commit \| commitdiff \| tree \| snapshot
2015-02-24	Erik Lindahl	Added AVX-512ER SIMD support	commit \| commitdiff \| tree \| snapshot
2015-02-24	Erik Lindahl	Add AVX-512F SIMD support	commit \| commitdiff \| tree \| snapshot
2015-02-20	Erik Lindahl	Famous quote from Colleen McCullough	commit \| commitdiff \| tree \| snapshot
2015-02-20	Erik Lindahl	Added two pop-culture quotes from Andy Warhol.	commit \| commitdiff \| tree \| snapshot
2015-02-18	Mark Abraham	Reenable SIMD for R-B dihedrals	commit \| commitdiff \| tree \| snapshot
2015-02-13	Mark Abraham	Fix mdrun-only build	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Replace more [BR] with rst bullet lists	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Replace some [BR] in help texts with rst literals	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Move flow chart from old-html to Sphinx	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Make (most) HTML links to file formats work again	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Convert file format descriptions to rst	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Generate man pages through Sphinx	commit \| commitdiff \| tree \| snapshot
2015-02-13	Teemu Murtola	Replace tool HTML help with Sphinx-generated docs	commit \| commitdiff \| tree \| snapshot
2015-02-13	Mark Abraham	Implemented documentation with sphinx	commit \| commitdiff \| tree \| snapshot
2015-02-12	Roland Schulz	Merge release-5-0 into master	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
2015-02-10	Roland Schulz	Don't set CFLAGS for Phi in toolchain	commit \| commitdiff \| tree \| snapshot
2015-02-10	Roland Schulz	Work-around for ICC 15 on Phi	commit \| commitdiff \| tree \| snapshot
2015-02-07	Roland Schulz	Make FindBoost quite	commit \| commitdiff \| tree \| snapshot
2015-02-07	Teemu Murtola	Support more complex fixed position selections	commit \| commitdiff \| tree \| snapshot
2015-02-06	Berk Hess	Re-enabled SIMD for angles and dihedrals	commit \| commitdiff \| tree \| snapshot
2015-02-04	Mark Abraham	Implement user guide	commit \| commitdiff \| tree \| snapshot
2015-02-04	Berk Hess	Correct CUDA kernel energy flag	commit \| commitdiff \| tree \| snapshot
2015-02-02	Mark Abraham	Merge branch release-5-0	commit \| commitdiff \| tree \| snapshot
2015-02-02	Mark Abraham	Avoid near-silent generation of zero energies	commit \| commitdiff \| tree \| snapshot
2015-02-02	Roland Schulz	Fix FP exception in FE	commit \| commitdiff \| tree \| snapshot
2015-02-02	Mark Abraham	Fix use of simd.h	commit \| commitdiff \| tree \| snapshot
2015-01-29	Teemu Murtola	Add input file options that accept missing files	commit \| commitdiff \| tree \| snapshot
2015-01-29	John Baxter	Removes some unnecessary ternary conditionals	commit \| commitdiff \| tree \| snapshot
2015-01-27	Roland Schulz	Workaround for MemorySanitizer	commit \| commitdiff \| tree \| snapshot
2015-01-27	Roland Schulz	Fix unitlized memory read in checkpoint	commit \| commitdiff \| tree \| snapshot
2015-01-24	Teemu Murtola	Remove old selection parser error handling code	commit \| commitdiff \| tree \| snapshot
2015-01-24	Teemu Murtola	Improve selection error messages (use exceptions)	commit \| commitdiff \| tree \| snapshot
2015-01-23	John Baxter	Cleans up steepest descent initial potential hack	commit \| commitdiff \| tree \| snapshot
2015-01-23	Mark Abraham	Change some listed-forces headers to be library-only	commit \| commitdiff \| tree \| snapshot
2015-01-23	Teemu Murtola	Ignore test-only dependency cycles	commit \| commitdiff \| tree \| snapshot
2015-01-23	Mark Abraham	Update FindCUDA work-around	commit \| commitdiff \| tree \| snapshot
2015-01-22	John Baxter	Changed "struct swap" to "struct t_swap"	commit \| commitdiff \| tree \| snapshot
2015-01-21	Berk Hess	Corrected RDTSCP warning text	commit \| commitdiff \| tree \| snapshot
2015-01-20	Teemu Murtola	Make data file path search more reusable	commit \| commitdiff \| tree \| snapshot
2015-01-20	Mark Abraham	Removed gmx_header_config.h	commit \| commitdiff \| tree \| snapshot
2015-01-20	Teemu Murtola	Convert forcefield search to C++	commit \| commitdiff \| tree \| snapshot
2015-01-19	Erik Lindahl	Added two quotes from Julie Bernauer habilitation	commit \| commitdiff \| tree \| snapshot
2015-01-19	James Barnett	Add tip4pew parameters to oplsaa.ff	commit \| commitdiff \| tree \| snapshot
2015-01-19	Teemu Murtola	Remove AnalysisNeighborhood::setUseBoundingBox()	commit \| commitdiff \| tree \| snapshot
2015-01-17	Teemu Murtola	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree \| snapshot
2015-01-16	Mark Abraham	Fix BlueGene/Q build with recent CMake	commit \| commitdiff \| tree \| snapshot
2015-01-16	Szilard Pall	Improve and clarify mdrun behavior with nsteps<0	commit \| commitdiff \| tree \| snapshot
2015-01-15	Mark Abraham	Merge branch release-5-0	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
2015-01-14	Mark Abraham	Refactor OpenMP initialization	commit \| commitdiff \| tree \| snapshot
2015-01-14	Mark Abraham	Remove temporary symlinks from pre-5.0 tool names	commit \| commitdiff \| tree \| snapshot
2015-01-09	Mark Abraham	Remove mdrun -testverlet	commit \| commitdiff \| tree \| snapshot
2015-01-08	Teemu Murtola	Refactor logic for finding share/top/ files	commit \| commitdiff \| tree \| snapshot
2015-01-08	Mark Abraham	Handle ivec* correctly in DD error message	commit \| commitdiff \| tree \| snapshot
2015-01-08	Mark Abraham	Fix floating-point exception	commit \| commitdiff \| tree \| snapshot
2015-01-08	Teemu Murtola	Closed some .xvg files that were being left open	commit \| commitdiff \| tree \| snapshot
2015-01-07	Teemu Murtola	Custom program context for unit tests	commit \| commitdiff \| tree \| snapshot
2015-01-07	Teemu Murtola	Split unit test init from testoptions.cpp	commit \| commitdiff \| tree \| snapshot
2015-01-06	Teemu Murtola	Use analysis nbsearch for surface area calculation	commit \| commitdiff \| tree \| snapshot
2015-01-06	Teemu Murtola	Use xvgrclose() for files opened with xvgropen()	commit \| commitdiff \| tree \| snapshot
2015-01-05	Teemu Murtola	Support subset of rvec array as input for analysis...	commit \| commitdiff \| tree \| snapshot
2015-01-05	Teemu Murtola	Minimal C++ replacement for rvec	commit \| commitdiff \| tree \| snapshot
2015-01-05	Teemu Murtola	Clarify GMX_MPI management	commit \| commitdiff \| tree \| snapshot
2015-01-05	Roland Schulz	Enable fp-exceptions	commit \| commitdiff \| tree \| snapshot
2015-01-03	Teemu Murtola	Minor selection clarifications	commit \| commitdiff \| tree \| snapshot
2015-01-03	Teemu Murtola	Fix crash with 'z of ...' within an expression	commit \| commitdiff \| tree \| snapshot
2015-01-02	Teemu Murtola	Update copyright year in copyrite.cpp	commit \| commitdiff \| tree \| snapshot
2014-12-28	Teemu Murtola	Convert gmx-insert-molecules into proper C++ module	commit \| commitdiff \| tree \| snapshot
2014-12-28	Teemu Murtola	Add helper for generic C++ command-line modules	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	Teemu Murtola	Rework gmx-solvate to use analysis nbsearch	commit \| commitdiff \| tree \| snapshot
2014-12-18	Roland Schulz	Fix CMP0054 cmake 3.1.0 warnings	commit \| commitdiff \| tree \| snapshot
2014-12-17	Teemu Murtola	Make 'gmx sasa' calculation thread-safe	commit \| commitdiff \| tree \| snapshot
2014-12-17	Teemu Murtola	Remove some backwards-compatibility glue for Jenkins	commit \| commitdiff \| tree \| snapshot
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