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

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

2014-02-18	Mark Abraham	Extend TestFileManager	commit \| commitdiff \| tree
2014-02-16	Mark Abraham	Fix test reference data accidentally broken	commit \| commitdiff \| tree
2014-02-16	Mark Abraham	Remove support for .g87 and .xyz I/O formats	commit \| commitdiff \| tree
2014-02-12	Mark Abraham	Refactored 'solvate' and 'insert-molecules'	commit \| commitdiff \| tree
2014-02-12	Mark Abraham	Re-fix compiler warnings with scanner.cpp	commit \| commitdiff \| tree
2014-02-11	Mark Abraham	Split genbox into 'solvate' and 'insert-molecules'	commit \| commitdiff \| tree
2014-02-11	Mark Abraham	Update stuff for old BlueGene	commit \| commitdiff \| tree
2014-02-09	Mark Abraham	Move orientation restraints checks inside init function	commit \| commitdiff \| tree
2014-02-08	Mark Abraham	Clean up .log file dump of inputrec	commit \| commitdiff \| tree
2014-02-07	Mark Abraham	Initialize inputrec better in genbox	commit \| commitdiff \| tree
2014-02-06	Mark Abraham	Remove antiquated and unused gmxpar.tex documentation	commit \| commitdiff \| tree
2014-02-05	Mark Abraham	Update description of genrestr	commit \| commitdiff \| tree
2014-02-04	Mark Abraham	Use feature to explain that tpbconv has moved	commit \| commitdiff \| tree
2014-02-03	Mark Abraham	Add hack to fix genbox	commit \| commitdiff \| tree
2014-02-03	Mark Abraham	Clean up genbox and associated code	commit \| commitdiff \| tree
2014-02-03	Mark Abraham	Improved wallcycle reporting	commit \| commitdiff \| tree
2014-01-30	Mark Abraham	Minor improvements to ewald_LRcorrection	commit \| commitdiff \| tree
2014-01-29	Mark Abraham	Improved dependencies on maths includes	commit \| commitdiff \| tree
2014-01-29	Mark Abraham	Keep clang Address Sanitizer happy	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Remove "gmx trjconv -app"	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Remove unused fplog	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Unify logic for timing counts	commit \| commitdiff \| tree
2014-01-27	Mark Abraham	Don't number a list manually	commit \| commitdiff \| tree
2014-01-23	Mark Abraham	Break dependency of fileio on tools	commit \| commitdiff \| tree
2014-01-22	Mark Abraham	Update libxml2 CMake detection	commit \| commitdiff \| tree
2014-01-21	Mark Abraham	Move more preprocessing files into the module	commit \| commitdiff \| tree
2014-01-21	Mark Abraham	Ensure we don't #define constants before system headers	commit \| commitdiff \| tree
2014-01-21	Mark Abraham	Remove hidden option to gmx dump	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Remove various outdated things from the repo	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Rename 'gmx tpbconv' to 'gmx convert-tpr'	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Fix .gitignore of some files	commit \| commitdiff \| tree
2014-01-19	Mark Abraham	Clean up after gmxcpp	commit \| commitdiff \| tree
2014-01-19	Mark Abraham	Move dump, check and tpbconv utilities	commit \| commitdiff \| tree
2014-01-17	Mark Abraham	Fix, simplify and test XTC writing	commit \| commitdiff \| tree
2014-01-17	Mark Abraham	Clean up inputrec reading	commit \| commitdiff \| tree
2014-01-14	Mark Abraham	Stop doing cppcheck on src/external	commit \| commitdiff \| tree
2014-01-14	Mark Abraham	Remove useless trjcat -prec option	commit \| commitdiff \| tree
2014-01-13	Mark Abraham	Fix mdrun integration tests	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Remove unreachable fatal error	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Remove unused debug code	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Add helpful note about changed default behaviour	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Create math module	commit \| commitdiff \| tree
2013-12-19	Mark Abraham	Fix non-critical typo in #ifdef GMX_OMPEN_MP	commit \| commitdiff \| tree
2013-12-05	Mark Abraham	Version bump after 5.0-beta1 release	commit \| commitdiff \| tree
2013-12-05	Mark Abraham	Fix administrivia	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Version bump after 4.6.5 release	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Version bumps before release	commit \| commitdiff \| tree
2013-12-02	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2013-12-01	Mark Abraham	Fix scope and naming of some variables	commit \| commitdiff \| tree
2013-12-01	Mark Abraham	Turn on -Wunused-parameter where applicable	commit \| commitdiff \| tree
2013-11-30	Mark Abraham	Add machinery for integration tests	commit \| commitdiff \| tree
2013-11-28	Mark Abraham	Remove IMD manual section	commit \| commitdiff \| tree
2013-11-27	Mark Abraham	Fix strange character in manual	commit \| commitdiff \| tree
2013-11-26	Mark Abraham	Moved gromos87 writing code into fileio module	commit \| commitdiff \| tree
2013-11-26	Mark Abraham	Add license for Sun XDR routines	commit \| commitdiff \| tree
2013-11-19	Mark Abraham	Fix incorrect variable name in documentation	commit \| commitdiff \| tree
2013-11-18	Mark Abraham	Bump CMake requirement to 2.8.8	commit \| commitdiff \| tree
2013-11-15	Mark Abraham	Merge branch release-4-6	commit \| commitdiff \| tree
2013-11-13	Mark Abraham	Bump version after 4.6.4 release	commit \| commitdiff \| tree
2013-11-13	Mark Abraham	Fix minor things before release	commit \| commitdiff \| tree
2013-11-08	Mark Abraham	Fix malformed CMake	commit \| commitdiff \| tree
2013-11-01	Mark Abraham	Added gmx_omp_nthreads_set for use in testing	commit \| commitdiff \| tree
2013-10-31	Mark Abraham	Rename GMX_IS_* to GMX_TARGET_*	commit \| commitdiff \| tree
2013-10-30	Mark Abraham	Silence warnings about scanner.cpp	commit \| commitdiff \| tree
2013-10-30	Mark Abraham	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2013-10-29	Mark Abraham	Renamed and removed last references to GMX_CRAY_XT3	commit \| commitdiff \| tree
2013-10-28	Mark Abraham	Create fileio module	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Encapsulate gmx_wallclock_accounting_t into new timing...	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Cleaned up run time measurement	commit \| commitdiff \| tree
2013-10-26	Mark Abraham	Added documentation for gmx_runtime_t struct	commit \| commitdiff \| tree
2013-10-23	Mark Abraham	Merge branch release-4-6 into master	commit \| commitdiff \| tree
2013-10-20	Mark Abraham	Remove html target from and excessive PDFs for manual	commit \| commitdiff \| tree
2013-10-18	Mark Abraham	BlueGene/Q Verlet cut-off scheme kernels	commit \| commitdiff \| tree
2013-10-18	Mark Abraham	Call atomics from TestAtomic.c	commit \| commitdiff \| tree
2013-10-17	Mark Abraham	Move mdrun trajectory writing into wrapper function	commit \| commitdiff \| tree
2013-10-17	Mark Abraham	Fix typo in g_membed documentation	commit \| commitdiff \| tree
2013-10-16	Mark Abraham	Move manual repo into code repo, and make it build	commit \| commitdiff \| tree
2013-10-10	Mark Abraham	Introduced MPI initialization counter	commit \| commitdiff \| tree
2013-10-08	Mark Abraham	Remove some unused variables from MD loop	commit \| commitdiff \| tree
2013-10-06	Mark Abraham	Fixed triggering of CPU acceleration-scheme detection	commit \| commitdiff \| tree
2013-10-04	Mark Abraham	Further consolidation of commrec initialization	commit \| commitdiff \| tree
2013-10-04	Mark Abraham	More consolidation of MPI initialization	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Broke some useless dependencies	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Split MPI initialization from t_commrec construction	commit \| commitdiff \| tree
2013-10-01	Mark Abraham	Silence clang warnings	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Un-duplicate gmx_gettime code	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Merge branch release-4-6	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove mdrun -ionize feature	commit \| commitdiff \| tree
2013-09-26	Mark Abraham	Remove General Coupling Theory stuff	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Remove repeat sfree(state->nosehoover_xi)	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Merge branch 'release-4-6'	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Described another way g_tune_pme might reasonably fail	commit \| commitdiff \| tree
2013-09-20	Mark Abraham	Fix total time measurement with separate PME nodes	commit \| commitdiff \| tree
2013-09-19	Mark Abraham	Fixed reading history_t from checkpoint	commit \| commitdiff \| tree
2013-09-19	Mark Abraham	Fixed g_tune_pme assumption that MPI is available	commit \| commitdiff \| tree
2013-09-18	Mark Abraham	Remove forcefield-scan feature	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Split up Verlet SIMD kernels for faster compilation	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fix detection and suggestion in gmx_cpuid for IBM QPX	commit \| commitdiff \| tree
2013-08-25	Mark Abraham	Fixes for Bluegene/Q	commit \| commitdiff \| tree
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