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2019-01-22	Mark Abraham	Remove init_md and improve init_em	commit \| commitdiff \| tree
2019-01-21	Mark Abraham	Clean up initialize_lambdas	commit \| commitdiff \| tree
2019-01-18	Mark Abraham	Remove ctest section called simple	commit \| commitdiff \| tree
2019-01-16	Mark Abraham	Remove several unnecessary things	commit \| commitdiff \| tree
2019-01-15	Mark Abraham	Reverted standard ExternalProject for FFTW download	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Remove ctest section called kernel	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Migrate TPI testing to Verlet scheme	commit \| commitdiff \| tree
2019-01-13	Mark Abraham	Improve use of gmxpreprocess headers	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Use enum class for grompp directives	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Add helper functionality for safer enumerations	commit \| commitdiff \| tree
2019-01-10	Mark Abraham	Add more checks for division by zero	commit \| commitdiff \| tree
2019-01-09	Mark Abraham	Fix eioNames	commit \| commitdiff \| tree
2019-01-07	Mark Abraham	Finish removing group-scheme all-vs-all support	commit \| commitdiff \| tree
2019-01-02	Mark Abraham	Merge branch release-2019	commit \| commitdiff \| tree
2018-12-22	Mark Abraham	Fix unused parameter warning	commit \| commitdiff \| tree
2018-12-10	Mark Abraham	Make only mdrun report process ID	commit \| commitdiff \| tree
2018-12-09	Mark Abraham	Fix POWER8 and POWER9 build	commit \| commitdiff \| tree
2018-12-03	Mark Abraham	Move responsibility for PME reduction to its module	commit \| commitdiff \| tree
2018-11-29	Mark Abraham	Removed erronous manual variable handling	commit \| commitdiff \| tree
2018-11-28	Mark Abraham	Introduce GpuBonded	commit \| commitdiff \| tree
2018-11-26	Mark Abraham	Clean up initial log output	commit \| commitdiff \| tree
2018-11-22	Mark Abraham	Introduce PpForceWorkload	commit \| commitdiff \| tree
2018-11-22	Mark Abraham	Merge "Merge branch 'release-2019'"	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Partial revert of "Fix inefficient shell minimization"	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Merge "Merge release-2019 into master"	commit \| commitdiff \| tree
2018-11-19	Mark Abraham	Fix inefficient shell minimization	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Fix checkpoint restart of tpr with infinite step count	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Relax arbitrary tolerance on rerun test	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	Fix OpenCL mdrun from installed path	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	More warning suppressions for QMMM code	commit \| commitdiff \| tree
2018-11-09	Mark Abraham	Disabled FPE checking for non-release builds	commit \| commitdiff \| tree
2018-11-08	Mark Abraham	Pragma warning suppressins for icc+windows	commit \| commitdiff \| tree
2018-11-07	Mark Abraham	Suppress clang warnings about QMMM code	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Make PME OpenCL enabled only for AMD devices	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Remove source file with no content	commit \| commitdiff \| tree
2018-11-02	Mark Abraham	Quiet unused variable warnings	commit \| commitdiff \| tree
2018-11-01	Mark Abraham	Stop using hwloc on old ARM slave	commit \| commitdiff \| tree
2018-11-01	Mark Abraham	Disable ccache by default	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Improve ccache implementation	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Rename to GMX_OPENCL_NB_CLUSTER_SIZE	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Updates to docs for OpenCL support	commit \| commitdiff \| tree
2018-10-26	Mark Abraham	Merge "Merge branch release-2018 into release-2019...	commit \| commitdiff \| tree
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-10-25	Mark Abraham	Introduce ArrayRefWithPadding	commit \| commitdiff \| tree
2018-10-22	Mark Abraham	Fix clang CUDA warnings	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Eliminated t_ifunc from t_interaction_function	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Task assignment for bonded interactions on CUDA GPUs	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Fix compiler issues	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Removed support for NVIDIA CC 2.x devices (codename...	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	Improve robustness of end-to-end testing	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	Create ExclusionBlocks	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	De-duplicating mdrun setup	commit \| commitdiff \| tree
2018-10-14	Mark Abraham	Fix compiler warnings	commit \| commitdiff \| tree
2018-10-13	Mark Abraham	Quiet compiler warnings	commit \| commitdiff \| tree
2018-10-13	Mark Abraham	Deprecate various functionality in GROMACS 2019	commit \| commitdiff \| tree
2018-10-12	Mark Abraham	Exclude gmxapi source files from include sorting	commit \| commitdiff \| tree
2018-10-11	Mark Abraham	Fix PaddedVector issues	commit \| commitdiff \| tree
2018-10-11	Mark Abraham	Open mdrun log file only once	commit \| commitdiff \| tree
2018-10-09	Mark Abraham	Fix DomdecOptions default	commit \| commitdiff \| tree
2018-10-08	Mark Abraham	Disable FPE explicitly for TPI force calculation	commit \| commitdiff \| tree
2018-10-08	Mark Abraham	Implement PaddedVector	commit \| commitdiff \| tree
2018-10-08	Mark Abraham	More updates to test matrix	commit \| commitdiff \| tree
2018-10-08	Mark Abraham	Fix make test	commit \| commitdiff \| tree
2018-10-07	Mark Abraham	Test with gcc 8 and cuda 10	commit \| commitdiff \| tree
2018-10-05	Mark Abraham	Check log and other files differently during appending...	commit \| commitdiff \| tree
2018-10-05	Mark Abraham	Change to test TSAN with clang and libomp	commit \| commitdiff \| tree
2018-10-04	Mark Abraham	Replace CUDA call deprecated in CUDA 10	commit \| commitdiff \| tree
2018-10-04	Mark Abraham	Extract helper functions for preparing for appending	commit \| commitdiff \| tree
2018-10-04	Mark Abraham	Simplify EM usage of mdebin	commit \| commitdiff \| tree
2018-10-03	Mark Abraham	Use fast returns in md5 computation	commit \| commitdiff \| tree
2018-10-03	Mark Abraham	Add end-to-end tests of energy minimization	commit \| commitdiff \| tree
2018-10-03	Mark Abraham	Basic modernization of md5 handling	commit \| commitdiff \| tree
2018-10-02	Mark Abraham	Reduce mdrun tests using group scheme	commit \| commitdiff \| tree
2018-10-01	Mark Abraham	Fix gcc-8 warnings about strings	commit \| commitdiff \| tree
2018-10-01	Mark Abraham	Add release notes for removing non-reproducible aspects	commit \| commitdiff \| tree
2018-10-01	Mark Abraham	Tests for md5 computation on open files	commit \| commitdiff \| tree
2018-09-29	Mark Abraham	Remove NVML support	commit \| commitdiff \| tree
2018-09-29	Mark Abraham	Stop ICC ICE	commit \| commitdiff \| tree
2018-09-28	Mark Abraham	Use more default initialization of mdrun structs	commit \| commitdiff \| tree
2018-09-28	Mark Abraham	Make some symbols in gmxpre-config.h always defined	commit \| commitdiff \| tree
2018-09-26	Mark Abraham	Clarify distinct paths for mdrun log file handling	commit \| commitdiff \| tree
2018-09-24	Mark Abraham	Fix Doxygen links	commit \| commitdiff \| tree
2018-09-23	Mark Abraham	Leak less from gromppp with cmap	commit \| commitdiff \| tree
2018-09-20	Mark Abraham	Update to test with clang-7	commit \| commitdiff \| tree
2018-09-19	Mark Abraham	Fix bug with state natoms in membed	commit \| commitdiff \| tree
2018-09-18	Mark Abraham	Separated partitioning and dlb code within domdec	commit \| commitdiff \| tree
2018-09-18	Mark Abraham	Add not_null from GSL	commit \| commitdiff \| tree
2018-09-13	Mark Abraham	Eliminate main.h	commit \| commitdiff \| tree
2018-09-11	Mark Abraham	Replace C-style library file handling with RAII approaches	commit \| commitdiff \| tree
2018-09-11	Mark Abraham	Improve DD logging	commit \| commitdiff \| tree
2018-09-11	Mark Abraham	Replace readConformation with TopologyInformation	commit \| commitdiff \| tree
2018-09-09	Mark Abraham	Change TopologyInformation implementation	commit \| commitdiff \| tree
2018-09-07	Mark Abraham	Fix grompp memory leaks	commit \| commitdiff \| tree
2018-09-07	Mark Abraham	Minor fixes to GPU build system	commit \| commitdiff \| tree
2018-09-07	Mark Abraham	Separate simulation database used in tests	commit \| commitdiff \| tree
2018-09-05	Mark Abraham	Be quieter when failing to detect GPUs	commit \| commitdiff \| tree
2018-09-04	Mark Abraham	Clarify initial DD cell choice with pressure coupling	commit \| commitdiff \| tree
2018-08-30	Mark Abraham	Update testing matrices for coverage and speed	commit \| commitdiff \| tree
2018-08-29	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-08-29	Mark Abraham	Move clang-tidy build	commit \| commitdiff \| tree
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