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

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2014-03-10	Mark Abraham	Fix dependency on swapcoords enums	commit \| commitdiff \| tree
2014-03-06	Mark Abraham	Fix formatting in install guide	commit \| commitdiff \| tree
2014-03-06	Mark Abraham	Fix CMake syntax error	commit \| commitdiff \| tree
2014-03-05	Mark Abraham	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2014-03-04	Mark Abraham	Add enum and docs for using tpx_version	commit \| commitdiff \| tree
2014-03-03	Mark Abraham	Fix calling SIMD group kernels	commit \| commitdiff \| tree
2014-03-01	Mark Abraham	Add fatal error for Andersen+constraints+DD	commit \| commitdiff \| tree
2014-02-26	Mark Abraham	Add ThreadSanitizer build type	commit \| commitdiff \| tree
2014-02-25	Mark Abraham	Keep compilers happy on BG/Q	commit \| commitdiff \| tree
2014-02-24	Mark Abraham	Clean up options for domain decomposition	commit \| commitdiff \| tree
2014-02-24	Mark Abraham	Permit warning-free use of Andersen thermostat	commit \| commitdiff \| tree
2014-02-24	Mark Abraham	Suppress icc warning for Boost 1.55 use of #pragma...	commit \| commitdiff \| tree
2014-02-21	Mark Abraham	Reinstate shell code with DD	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	Remove particle decomposition	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	avoid mdrun crash when rdtscp is not supported	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	Add integration tests for replica exchange	commit \| commitdiff \| tree
2014-02-19	Mark Abraham	Make some variable names less cryptic	commit \| commitdiff \| tree
2014-02-18	Mark Abraham	Fix outstanding references to "CPU acceleration"	commit \| commitdiff \| tree
2014-02-18	Mark Abraham	Fix harmless bug with combination of group and twin...	commit \| commitdiff \| tree
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
2014-02-08	Mark Abraham	Issue fatal errors rather than use broken shell code	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
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