Public Git Hosting - gromacs.git/search

2018-04-05	Mark Abraham	Create gromacs/mdrun module and move code there	commit \| commitdiff \| tree
2018-04-04	Mark Abraham	Quiet checkpoint reading	commit \| commitdiff \| tree
2018-04-03	Mark Abraham	Merge "Merge branch release-2018"	commit \| commitdiff \| tree
2018-03-28	Mark Abraham	Free more memory in grompp and mdrun	commit \| commitdiff \| tree
2018-03-28	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-03-27	Mark Abraham	More gcc-8 fixes for POWER	commit \| commitdiff \| tree
2018-03-22	Mark Abraham	Updated to prepare for 2018.2 release	commit \| commitdiff \| tree
2018-03-21	Mark Abraham	Version 2018.1	commit \| commitdiff \| tree
2018-03-21	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2018-03-21	Mark Abraham	Update release notes for 2018.1	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Add helper function to make a vector from an ArrayRef	commit \| commitdiff \| tree
2018-03-19	Mark Abraham	Fix VSX SIMD with gcc 8	commit \| commitdiff \| tree
2018-03-14	Mark Abraham	Make a persistent physical node communicator	commit \| commitdiff \| tree
2018-03-13	Mark Abraham	Add more const to uses of t_commrec and t_inputrec	commit \| commitdiff \| tree
2018-03-13	Mark Abraham	Introduce constrain_shake	commit \| commitdiff \| tree
2018-03-13	Mark Abraham	Merge "Merge branch release-2018"	commit \| commitdiff \| tree
2018-03-12	Mark Abraham	Test gcc-6 and cuda-9.0	commit \| commitdiff \| tree
2018-03-06	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-03-06	Mark Abraham	Fixed dvdlambda for SHAKE + FE	commit \| commitdiff \| tree
2018-02-28	Mark Abraham	Moved and removed constraint code	commit \| commitdiff \| tree
2018-02-28	Mark Abraham	Reorganized constraint code	commit \| commitdiff \| tree
2018-02-27	Mark Abraham	Fix GPU utils test	commit \| commitdiff \| tree
2018-02-26	Mark Abraham	Permit define .mdp field to assign values	commit \| commitdiff \| tree
2018-02-26	Mark Abraham	Organize for recording 2016-era release notes and add...	commit \| commitdiff \| tree
2018-02-21	Mark Abraham	Enhanced docs of pimpl pointer helper	commit \| commitdiff \| tree
2018-02-19	Mark Abraham	Remove cycle suppression	commit \| commitdiff \| tree
2018-02-19	Mark Abraham	Disallowed change of ensemble for checkpoint restart	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Merge branch release-2018 into master	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Version 2016.5	commit \| commitdiff \| tree
2018-02-15	Mark Abraham	Use struct for checkpoint header contents	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Remove read_checkpoint_state	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Use std::vector for checkpoint outputfiles	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Fix bug in checkpoint error checking	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Prepare release notes for 2018.1	commit \| commitdiff \| tree
2018-02-13	Mark Abraham	Use death test only when supported	commit \| commitdiff \| tree
2018-02-13	Mark Abraham	Separate multisim from commrec	commit \| commitdiff \| tree
2018-02-12	Mark Abraham	Remove commrec from hardware detection	commit \| commitdiff \| tree
2018-02-12	Mark Abraham	Analyse threads on node before setting affinities	commit \| commitdiff \| tree
2018-02-12	Mark Abraham	Fix reading old force field files	commit \| commitdiff \| tree
2018-02-09	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Use more portable python shebangs	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge "Merge branch 'release-2018' into master"	commit \| commitdiff \| tree
2018-02-06	Mark Abraham	Prevent log file energy average printing dividing by...	commit \| commitdiff \| tree
2018-02-06	Mark Abraham	Use isfinite unambiguously	commit \| commitdiff \| tree
2018-01-30	Mark Abraham	Replace macros for multi-sim	commit \| commitdiff \| tree
2018-01-30	Mark Abraham	Update GoogleTest to 1.8.0	commit \| commitdiff \| tree
2018-01-27	Mark Abraham	Remove unused declaration	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Remove unused fields of t_commrec	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Reduced includes of common headers in headers	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Removed mdrun -multi	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Change multi-sim tests to use -multidir	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Remove gmx_inline	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Teach include sorter to ignore cmake-test files	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Move Windows icc config to post-submit testing	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Replace gmx_bool with bool in bitmask functions	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Remove support for implicit solvation	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Remove topology support for implicit solvation	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Preliminary cleanup before removing ifdef cplusplus	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Merge "Merge branch 'release-2018' into master"	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Add dev-guide docs for automatic update of regressiontests	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Fixes for issues found by clang 6	commit \| commitdiff \| tree
2018-01-18	Mark Abraham	Bump version numbers for 2019 development	commit \| commitdiff \| tree
2018-01-18	Mark Abraham	Remove support for BlueGene	commit \| commitdiff \| tree
2018-01-18	Mark Abraham	Port thread-MPI to compile as C++	commit \| commitdiff \| tree
2018-01-16	Mark Abraham	Merge "Merge release-2018 into master"	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Remove contrib directory	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Bumped version for next patch release	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Version 2018	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Announce in user log files that features are deprecated.	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Fix automated GPU ID assignment	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Add release notes to source repo	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Handle erroneous command line args better	commit \| commitdiff \| tree
2018-01-09	Mark Abraham	Deactivate autoselect of PME on GPU on separate rank	commit \| commitdiff \| tree
2018-01-09	Mark Abraham	Clean up user guide for release	commit \| commitdiff \| tree
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-01-05	Mark Abraham	Remove FindCUDA from source tarball	commit \| commitdiff \| tree
2018-01-04	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-01-04	Mark Abraham	Add test config of GPU build on slave without GPU	commit \| commitdiff \| tree
2018-01-03	Mark Abraham	Add cool quote	commit \| commitdiff \| tree
2018-01-03	Mark Abraham	Fix duplicate warning	commit \| commitdiff \| tree
2018-01-02	Mark Abraham	Fix membed by calling the proper mtop finalization...	commit \| commitdiff \| tree
2017-12-30	Mark Abraham	First release candidate for version 2018	commit \| commitdiff \| tree
2017-12-29	Mark Abraham	Separate canDetectGpus and findGpus futher, and fix...	commit \| commitdiff \| tree
2017-12-27	Mark Abraham	Silence POWER8 compiler warnings	commit \| commitdiff \| tree
2017-12-22	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Bump minor version for theoretical new release	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Update double-precision test configurations	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Version 5.1.5	commit \| commitdiff \| tree
2017-12-20	Mark Abraham	Use new defaultRealTolerance() to stabilise some tests	commit \| commitdiff \| tree
2017-12-20	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom