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

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

2015-04-17	David van der Spoel	Updated exponential fitting to make it robust.	commit \| commitdiff \| tree
2015-04-08	Berk Hess	Added pull geometry direction-relative	commit \| commitdiff \| tree
2015-04-01	Mark Abraham	Initialize n_tricvec field of t_pbc always	commit \| commitdiff \| tree
2015-03-30	Mark Abraham	Improved man-page machinery	commit \| commitdiff \| tree
2015-03-25	Erik Lindahl	Quote from Jen-Hsun at the NVIDIA GTC conference 2015	commit \| commitdiff \| tree
2015-03-19	Berk Hess	Removed reduction of dH/dl without FE	commit \| commitdiff \| tree
2015-03-13	Mark Abraham	Made GPU warning messages more user friendly	commit \| commitdiff \| tree
2015-03-12	Berk Hess	Fixed mdrun fp exception with -debug	commit \| commitdiff \| tree
2015-03-11	Berk Hess	Added update x copy-back to update timer	commit \| commitdiff \| tree
2015-03-06	Berk Hess	Improve threading of bondeds	commit \| commitdiff \| tree
2015-03-06	Mark Abraham	Restore wallcycle subcounter name to "Bonded F"	commit \| commitdiff \| tree
2015-03-05	Berk Hess	SIMD acceleration for LINCS	commit \| commitdiff \| tree
2015-03-04	Berk Hess	COM pulling options per coord, improved cylinder	commit \| commitdiff \| tree
2015-03-04	Roland Schulz	Fix GCC5 warnings	commit \| commitdiff \| tree
2015-03-03	Mark Abraham	Re-implement gmx tune_pme -cpi	commit \| commitdiff \| tree
2015-03-03	Erik Lindahl	Added single-accuracy SIMD double math functions	commit \| commitdiff \| tree
2015-03-03	Berk Hess	Fix div by zero in PP/PME ratio	commit \| commitdiff \| tree
2015-03-03	Mark Abraham	Add test that plain multi-simulation works	commit \| commitdiff \| tree
2015-03-02	David van der Spoel	Updated documentation for electric fields.	commit \| commitdiff \| tree
2015-03-02	Berk Hess	Added parentheses for casts in SIMD macros	commit \| commitdiff \| tree
2015-03-02	Roland Schulz	Don't search installation prefix if binary is not found	commit \| commitdiff \| tree
2015-03-02	Mark Abraham	Add infrastructure for running MPI integration tests	commit \| commitdiff \| tree
2015-02-25	Roland Schulz	C++ conversion for PME spread/gather	commit \| commitdiff \| tree
2015-02-25	Mark Abraham	Add content to user guide	commit \| commitdiff \| tree
2015-02-25	Mark Abraham	Split pme.c into multiple files	commit \| commitdiff \| tree
2015-02-25	Mark Abraham	Add mdp-options to user guide	commit \| commitdiff \| tree
2015-02-24	Berk Hess	Fixed parallel distribution and thread count reporting	commit \| commitdiff \| tree
2015-02-24	Erik Lindahl	Add AVX-512F SIMD support	commit \| commitdiff \| tree
2015-02-18	Mark Abraham	Reenable SIMD for R-B dihedrals	commit \| commitdiff \| tree
2015-02-13	Mark Abraham	Implemented documentation with sphinx	commit \| commitdiff \| tree
2015-02-12	Vedran Miletić	Fix removal of symlinks created during installation	commit \| commitdiff \| tree
2015-02-10	Roland Schulz	Don't set CFLAGS for Phi in toolchain	commit \| commitdiff \| tree
2015-02-07	Roland Schulz	Make FindBoost quite	commit \| commitdiff \| tree
2015-02-07	Teemu Murtola	Support more complex fixed position selections	commit \| commitdiff \| tree
2015-02-06	Berk Hess	Re-enabled SIMD for angles and dihedrals	commit \| commitdiff \| tree
2015-02-04	Berk Hess	Correct CUDA kernel energy flag	commit \| commitdiff \| tree
2015-02-02	Roland Schulz	Fix FP exception in FE	commit \| commitdiff \| tree
2015-02-02	Mark Abraham	Fix use of simd.h	commit \| commitdiff \| tree
2015-01-29	Teemu Murtola	Add input file options that accept missing files	commit \| commitdiff \| tree
2015-01-29	John Baxter	Removes some unnecessary ternary conditionals	commit \| commitdiff \| tree
2015-01-24	Teemu Murtola	Improve selection error messages (use exceptions)	commit \| commitdiff \| tree
2015-01-23	Mark Abraham	Change some listed-forces headers to be library-only	commit \| commitdiff \| tree
2015-01-23	Teemu Murtola	Ignore test-only dependency cycles	commit \| commitdiff \| tree
2015-01-20	Teemu Murtola	Make data file path search more reusable	commit \| commitdiff \| tree
2015-01-20	Teemu Murtola	Convert forcefield search to C++	commit \| commitdiff \| tree
2015-01-19	Erik Lindahl	Added two quotes from Julie Bernauer habilitation	commit \| commitdiff \| tree
2015-01-19	James Barnett	Add tip4pew parameters to oplsaa.ff	commit \| commitdiff \| tree
2015-01-19	Teemu Murtola	Remove AnalysisNeighborhood::setUseBoundingBox()	commit \| commitdiff \| tree
2015-01-17	Teemu Murtola	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree
2015-01-16	Mark Abraham	Fix BlueGene/Q build with recent CMake	commit \| commitdiff \| tree
2015-01-15	Berk Hess	Fix allocation issue with VV integrator	commit \| commitdiff \| tree
2015-01-14	Mark Abraham	Fix and suppress warnings on BlueGene/Q	commit \| commitdiff \| tree
2015-01-14	Mark Abraham	Refactor OpenMP initialization	commit \| commitdiff \| tree
2015-01-14	Mark Abraham	Remove temporary symlinks from pre-5.0 tool names	commit \| commitdiff \| tree
2015-01-09	Mark Abraham	Remove mdrun -testverlet	commit \| commitdiff \| tree
2015-01-08	Teemu Murtola	Refactor logic for finding share/top/ files	commit \| commitdiff \| tree
2015-01-08	Mark Abraham	Fix floating-point exception	commit \| commitdiff \| tree
2015-01-08	Teemu Murtola	Closed some .xvg files that were being left open	commit \| commitdiff \| tree
2015-01-07	Teemu Murtola	Split unit test init from testoptions.cpp	commit \| commitdiff \| tree
2015-01-06	Teemu Murtola	Use analysis nbsearch for surface area calculation	commit \| commitdiff \| tree
2015-01-05	Teemu Murtola	Minimal C++ replacement for rvec	commit \| commitdiff \| tree
2015-01-05	Teemu Murtola	Clarify GMX_MPI management	commit \| commitdiff \| tree
2015-01-05	Roland Schulz	Enable fp-exceptions	commit \| commitdiff \| tree
2015-01-03	Teemu Murtola	Minor selection clarifications	commit \| commitdiff \| tree
2015-01-03	Teemu Murtola	Fix crash with 'z of ...' within an expression	commit \| commitdiff \| tree
2014-12-28	Teemu Murtola	Add helper for generic C++ command-line modules	commit \| commitdiff \| tree
2014-12-22	Berk Hess	Fixed pbc=xy + 2 walls + Verlet scheme	commit \| commitdiff \| tree
2014-12-22	Berk Hess	Fix bug FE + GPU + 2/3D domain decomposition	commit \| commitdiff \| tree
2014-12-17	Teemu Murtola	Make 'gmx sasa' calculation thread-safe	commit \| commitdiff \| tree
2014-12-17	Teemu Murtola	Remove some backwards-compatibility glue for Jenkins	commit \| commitdiff \| tree
2014-12-17	Roland Schulz	Merge "Merge branch 'release-5-0'"	commit \| commitdiff \| tree
2014-12-17	Roland Schulz	Fix cppcheck-1.67 warnings	commit \| commitdiff \| tree
2014-12-16	Teemu Murtola	Make 'gmx sasa' volume computation translation-invariant	commit \| commitdiff \| tree
2014-12-16	Mark Abraham	Move code to prepare for GPU interface rework	commit \| commitdiff \| tree
2014-12-15	Roland Schulz	Fix NVML detection on Windows	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-12-15	Teemu Murtola	Use new XML format with cppcheck	commit \| commitdiff \| tree
2014-12-13	Roland Schulz	Use bitmask for bonded	commit \| commitdiff \| tree
2014-12-13	David van der Spoel	Four new quotes from around the world.	commit \| commitdiff \| tree
2014-12-13	Mark Abraham	Remove heuristic group-scheme neighbour-list updates	commit \| commitdiff \| tree
2014-12-13	Mark Abraham	Fix latent bug in OpenMP initialization	commit \| commitdiff \| tree
2014-12-11	Teemu Murtola	Convert gmx rdf to the C++ framework	commit \| commitdiff \| tree
2014-12-10	Teemu Murtola	Fix misc. analysis neighborhood search issues	commit \| commitdiff \| tree
2014-12-09	Teemu Murtola	Track locations for selection parsing products	commit \| commitdiff \| tree
2014-12-09	Carsten Kutzner	Make tune_pme understand the "-nsteps" option. Fixes...	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-12-08	Teemu Murtola	Rectangular grid for analysis nbsearch	commit \| commitdiff \| tree
2014-12-08	Berk Hess	Fixed pull coord init with rate!=0, t_start!=0	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Fix group-scheme bug with changing LJ parameters in FE	commit \| commitdiff \| tree
2014-12-08	Berk Hess	Added PBC note to comm-mode=angular warning	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Add basic GPU support for gmx tune-pme	commit \| commitdiff \| tree
2014-12-06	Teemu Murtola	Simplify analysisdata parallelism model	commit \| commitdiff \| tree
2014-12-05	Jiri Kraus	Add optional NVIDIA Management Library (NVML) Integration	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Clean up non-PME part of ewald module	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Make mdrun print the list of compatible GPUs	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Created do_force_listed and moved code to the module	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Make domdec a proper module	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Clarified grompp pull error messages	commit \| commitdiff \| tree
2014-12-05	Teemu Murtola	Improve selection parsing error reporting	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Avoid race on dvdl with Verlet+OpenMP+LINCS+FE+VV	commit \| commitdiff \| tree
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