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

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2015-06-12	Teemu Murtola	Update help output	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Initial docs for Jenkins integration	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Initial build system documentation in dev guide	commit \| commitdiff \| tree
2015-06-12	Teemu Murtola	Improve Jenkins docs build	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Handle timing better in Jenkins	commit \| commitdiff \| tree
2015-06-11	Teemu Murtola	Script for Jenkins documentation build	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Clean up vsite interaction clean-up code	commit \| commitdiff \| tree
2015-06-09	Teemu Murtola	Misc. improvements to docs build system	commit \| commitdiff \| tree
2015-06-09	Teemu Murtola	Improve user guide text for command line interface	commit \| commitdiff \| tree
2015-06-07	Erik Lindahl	Fix out-of-range integer literals for threefry	commit \| commitdiff \| tree
2015-06-06	Szilard Pall	Optimize atomic accumulation in CUDA NB kernel	commit \| commitdiff \| tree
2015-06-05	Roland Schulz	Reenable lincs/bonded SIMD for ICC on Windows	commit \| commitdiff \| tree
2015-06-05	Mark Abraham	Remove gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-06-05	Berk Hess	Don't use PME ranks with GPUs and -npme=-1	commit \| commitdiff \| tree
2015-06-04	Mark Abraham	Fix naming from "Gromacs" to "GROMACS"	commit \| commitdiff \| tree
2015-06-04	Erik Lindahl	More new quotes	commit \| commitdiff \| tree
2015-06-04	Teemu Murtola	Fix potential FPE in selection tests	commit \| commitdiff \| tree
2015-06-04	Teemu Murtola	Support rst tables in tool help texts	commit \| commitdiff \| tree
2015-06-03	Roland Schulz	Use stack buffer for LINCS&bonded gather/scatter	commit \| commitdiff \| tree
2015-06-02	Rossen Apostolov	Converted random module to C++.	commit \| commitdiff \| tree
2015-05-28	Teemu Murtola	Additional selection examples	commit \| commitdiff \| tree
2015-05-27	Berk Hess	Refactoring of PME load balancing	commit \| commitdiff \| tree
2015-05-27	Rossen Apostolov	Converted pulling code to C++.	commit \| commitdiff \| tree
2015-05-26	Mark Abraham	Avoid possible floating-point exception	commit \| commitdiff \| tree
2015-05-24	Teemu Murtola	Include selection keyword details in user guide	commit \| commitdiff \| tree
2015-05-23	Mark Abraham	Fix misuse of gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Base to get all 'gmx help' contents to user guide	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Avoid crash with empty reference for 'same as' selection	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Add subsection depth to HelpWriterContext	commit \| commitdiff \| tree
2015-05-22	Teemu Murtola	Add note about atom order in selections	commit \| commitdiff \| tree
2015-05-21	Teemu Murtola	Restructure CommandLineModuleManager tests	commit \| commitdiff \| tree
2015-05-21	Mark Abraham	Add integration test for empty domain	commit \| commitdiff \| tree
2015-05-20	Teemu Murtola	Fix dependencies for regression test custom target	commit \| commitdiff \| tree
2015-05-20	Teemu Murtola	Some tests for 'gmx help -export rst'	commit \| commitdiff \| tree
2015-05-19	Mark Abraham	Refactor FFTW setup	commit \| commitdiff \| tree
2015-05-18	Teemu Murtola	Merge "Merge branch origin/release-5-0"	commit \| commitdiff \| tree
2015-05-17	Erik Lindahl	Added hacks for SIMD rvec/load store in lincs & bondeds	commit \| commitdiff \| tree
2015-05-17	Teemu Murtola	Move a few defines to buildinfo.h	commit \| commitdiff \| tree
2015-05-16	Berk Hess	LINCS thread tasks can now be independent	commit \| commitdiff \| tree
2015-05-16	Mark Abraham	Suppress GCC5 warnings with internal Boost	commit \| commitdiff \| tree
2015-05-16	Magnus Lundborg	TNG version 1.7.5	commit \| commitdiff \| tree
2015-05-16	Alexey Shvetsov	Make bond-atomtypes case sensitive	commit \| commitdiff \| tree
2015-05-14	Mark Abraham	Fix own-FFTW build	commit \| commitdiff \| tree
2015-05-13	Teemu Murtola	Remove remaining old-html content	commit \| commitdiff \| tree
2015-05-13	Berk Hess	Fix segv in g_covar	commit \| commitdiff \| tree
2015-05-13	Szilard Pall	Fix auto-downloaded regression test execution	commit \| commitdiff \| tree
2015-05-13	Roland Schulz	Facilitate linking of static binaries	commit \| commitdiff \| tree
2015-05-12	Mark Abraham	Fix uninitialized fields in grompp t_state	commit \| commitdiff \| tree
2015-05-11	Mark Abraham	Work around gcc 5 warnings with Google Test	commit \| commitdiff \| tree
2015-05-10	Mark Abraham	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree
2015-05-10	Teemu Murtola	Print correct order for include order/style issues	commit \| commitdiff \| tree
2015-05-10	Teemu Murtola	Improve build system for Sphinx	commit \| commitdiff \| tree
2015-05-10	Teemu Murtola	Convert developer manual to rst	commit \| commitdiff \| tree
2015-05-06	Mark Abraham	Fixed recently-introduced couple-lambda warning message	commit \| commitdiff \| tree
2015-05-06	Szilárd Páll	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2015-05-06	Mark Abraham	Fix SIMD unit tests on BG/Q	commit \| commitdiff \| tree
2015-05-05	Teemu Murtola	Avoid rounding errors affecting results in one test	commit \| commitdiff \| tree
2015-04-30	Olivier Fisette	Fix error handling in gmx_tmpnam	commit \| commitdiff \| tree
2015-04-30	Michael Shirts	Fix for rarely occuring replica exchange error.	commit \| commitdiff \| tree
2015-04-28	Mark Abraham	Add application-clock NVML-based support for Quadro...	commit \| commitdiff \| tree
2015-04-27	Mark Abraham	Clean up remnants in mdrun	commit \| commitdiff \| tree
2015-04-21	Szilárd Páll	Allow manually setting target GPU architectures	commit \| commitdiff \| tree
2015-04-21	Magnus Lundborg	TNG version 1.7.3	commit \| commitdiff \| tree
2015-04-21	Mark Abraham	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree
2015-04-17	Berk Hess	Add value_ref and value to pull_coord_t	commit \| commitdiff \| tree
2015-04-17	Szilárd Páll	define CUDA version and texobj support in config.h	commit \| commitdiff \| tree
2015-04-17	Mark Abraham	Add comment about Andersen themostat and constraints	commit \| commitdiff \| tree
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
2015-04-01	Berk Hess	Corrected force-switch manual section	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	Mark Abraham	Fix Andersen thermostats	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
2015-02-14	Erik Marklund	gmx hbond no longer removes PBC when none is present	commit \| commitdiff \| tree
2015-02-13	Mark Abraham	Implemented documentation with sphinx	commit \| commitdiff \| tree
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