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

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2015-06-18	Mark Abraham	Fix typo in GMX_BUILD_OWN_FFTW message	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Move code for managing mdrun -cpi and -append	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Add unit tests for ArrayRef	commit \| commitdiff \| tree
2015-06-12	Mark Abraham	Fix commandline test data	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Handle timing better in Jenkins	commit \| commitdiff \| tree
2015-06-11	Mark Abraham	Clean up vsite interaction clean-up code	commit \| commitdiff \| tree
2015-06-05	Mark Abraham	Remove gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-06-04	Mark Abraham	Fix naming from "Gromacs" to "GROMACS"	commit \| commitdiff \| tree
2015-05-27	Mark Abraham	Fix warnings from GCC 5	commit \| commitdiff \| tree
2015-05-26	Mark Abraham	Avoid possible floating-point exception	commit \| commitdiff \| tree
2015-05-26	Mark Abraham	Convert ewald module to C++	commit \| commitdiff \| tree
2015-05-26	Mark Abraham	Fix use of hard-coded temporary filename	commit \| commitdiff \| tree
2015-05-23	Mark Abraham	Fix misuse of gmx_simd_check_and_reset_overflow	commit \| commitdiff \| tree
2015-05-21	Mark Abraham	Add integration test for empty domain	commit \| commitdiff \| tree
2015-05-19	Mark Abraham	Add checks for correct use of SIMD headers.	commit \| commitdiff \| tree
2015-05-19	Mark Abraham	Refactor FFTW setup	commit \| commitdiff \| tree
2015-05-17	Mark Abraham	Merge branch origin/release-5-0	commit \| commitdiff \| tree
2015-05-16	Mark Abraham	Suppress GCC5 warnings with internal Boost	commit \| commitdiff \| tree
2015-05-14	Mark Abraham	Fix own-FFTW build	commit \| commitdiff \| tree
2015-05-13	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree
2015-05-13	Mark Abraham	Version 5.0.5	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
2015-05-09	Mark Abraham	Merge branch release-5-0	commit \| commitdiff \| tree
2015-05-06	Mark Abraham	Fixed recently-introduced couple-lambda warning message	commit \| commitdiff \| tree
2015-05-06	Mark Abraham	Fix SIMD unit tests on BG/Q	commit \| commitdiff \| tree
2015-05-05	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree
2015-04-30	Mark Abraham	Move GPU implementation to new interface	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
2015-04-24	Mark Abraham	Add developer docs for new documentation infrastructure	commit \| commitdiff \| tree
2015-04-23	Mark Abraham	First beta release of 5.1	commit \| commitdiff \| tree
2015-04-21	Mark Abraham	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree
2015-04-17	Mark Abraham	Add comment about Andersen themostat and constraints	commit \| commitdiff \| tree
2015-04-09	Mark Abraham	Merge branch release-5-0	commit \| commitdiff \| tree
2015-04-08	Mark Abraham	Update mdrun Doxygen	commit \| commitdiff \| tree
2015-04-08	Mark Abraham	Made pme_work_t opaque	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
2015-03-19	Mark Abraham	Made error message more generic	commit \| commitdiff \| tree
2015-03-19	Mark Abraham	Extend Force sub-counters	commit \| commitdiff \| tree
2015-03-13	Mark Abraham	Made GPU warning messages more user friendly	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
2015-03-03	Mark Abraham	Re-implement gmx tune_pme -cpi	commit \| commitdiff \| tree
2015-03-03	Mark Abraham	Move mdrun signalling code	commit \| commitdiff \| tree
2015-03-03	Mark Abraham	Add test that plain multi-simulation works	commit \| commitdiff \| tree
2015-03-02	Mark Abraham	Run replica-exchange tests with MPI enabled	commit \| commitdiff \| tree
2015-03-02	Mark Abraham	Add infrastructure for running MPI integration tests	commit \| commitdiff \| tree
2015-02-25	Mark Abraham	New and reorganized documentation	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
2015-02-18	Mark Abraham	Reenable SIMD for R-B dihedrals	commit \| commitdiff \| tree
2015-02-13	Mark Abraham	Fix mdrun-only build	commit \| commitdiff \| tree
2015-02-13	Mark Abraham	Implemented documentation with sphinx	commit \| commitdiff \| tree
2015-02-04	Mark Abraham	Implement user guide	commit \| commitdiff \| tree
2015-02-02	Mark Abraham	Merge branch release-5-0	commit \| commitdiff \| tree
2015-02-02	Mark Abraham	Avoid near-silent generation of zero energies	commit \| commitdiff \| tree
2015-02-02	Mark Abraham	Fix use of simd.h	commit \| commitdiff \| tree
2015-01-23	Mark Abraham	Change some listed-forces headers to be library-only	commit \| commitdiff \| tree
2015-01-23	Mark Abraham	Update FindCUDA work-around	commit \| commitdiff \| tree
2015-01-20	Mark Abraham	Removed gmx_header_config.h	commit \| commitdiff \| tree
2015-01-16	Mark Abraham	Fix BlueGene/Q build with recent CMake	commit \| commitdiff \| tree
2015-01-15	Mark Abraham	Merge branch release-5-0	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	Mark Abraham	Handle ivec* correctly in DD error message	commit \| commitdiff \| tree
2015-01-08	Mark Abraham	Fix floating-point exception	commit \| commitdiff \| tree
2014-12-16	Mark Abraham	Move code to prepare for GPU interface rework	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Merge branch 'release-5-0'	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Removing iteration + constraints framework	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Version 5.0.4	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Fix constraints checks in grompp	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-12-13	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
2014-12-12	Mark Abraham	Add StringFormatter and formatAndJoin to stringutil	commit \| commitdiff \| tree
2014-12-11	Mark Abraham	Merge release-4-6 into release-5-0	commit \| commitdiff \| tree
2014-12-09	Mark Abraham	Version bumps after new release	commit \| commitdiff \| tree
2014-12-09	Mark Abraham	Version 5.0.3	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Fix group-scheme bug with changing LJ parameters in FE	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Add basic GPU support for gmx tune-pme	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	Move threading support into listed-forces module	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Created do_force_listed and moved code to the module	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Convert remaining callers of do_force to C++	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Remove use of interaction_mask_indices on BG/Q	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Merge branch release-4-6 into release-5-0	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-11-26	Mark Abraham	Fix trjconv modifying fr.time unnecessarily	commit \| commitdiff \| tree
2014-11-26	Mark Abraham	Move code to domdec module folder	commit \| commitdiff \| tree
2014-10-17	Mark Abraham	Extend gmock to turn off socket listener	commit \| commitdiff \| tree
2014-10-17	Mark Abraham	Move code to what will become the ewald module	commit \| commitdiff \| tree
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