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2019-09-24	Mark Abraham	Fix no-MPI CUDA build	commit \| commitdiff \| tree
2019-09-24	Mark Abraham	Merge "Merge branch release-2019 into master"	commit \| commitdiff \| tree
2019-09-24	Mark Abraham	Fix clang unused-function warnings	commit \| commitdiff \| tree
2019-09-23	Mark Abraham	Fixes to broken CUDA compiler flags	commit \| commitdiff \| tree
2019-09-23	Mark Abraham	Fix 1D-1pulse support	commit \| commitdiff \| tree
2019-09-20	Mark Abraham	Refactor to create a GpuTaskAssignments object	commit \| commitdiff \| tree
2019-09-19	Mark Abraham	Use GPU halo exchange only when compatible DD is available	commit \| commitdiff \| tree
2019-09-19	Mark Abraham	Further improve getDDGridSetup	commit \| commitdiff \| tree
2019-09-16	Mark Abraham	Avoid short-range GPU operations with no work	commit \| commitdiff \| tree
2019-09-12	Mark Abraham	Disable report-methods end-to-end test	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Make gmx_multisim_t a C++ object	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Fix multi-sim restart handling in corner cases	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Avoid warning in no-mpi build	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Use more RAII semantics with t_commrec	commit \| commitdiff \| tree
2019-09-06	Mark Abraham	Clean up commrec uniformly	commit \| commitdiff \| tree
2019-09-05	Mark Abraham	Update mdrun test comparison infrastructure	commit \| commitdiff \| tree
2019-09-03	Mark Abraham	Simplify energy-file comparisons in tests	commit \| commitdiff \| tree
2019-09-02	Mark Abraham	Move initialization of clFFT	commit \| commitdiff \| tree
2019-08-30	Mark Abraham	Fix build matrices	commit \| commitdiff \| tree
2019-08-29	Mark Abraham	More quotes	commit \| commitdiff \| tree
2019-08-28	Mark Abraham	Fix integration issues	commit \| commitdiff \| tree
2019-08-28	Mark Abraham	Improved usability of grompp by rejecting more invalid...	commit \| commitdiff \| tree
2019-08-27	Mark Abraham	Add integration tests for exact restarts	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Make FEP rerun tests cover the intended lambda space	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Converted a CUDA config to use clang host-only compilation	commit \| commitdiff \| tree
2019-08-26	Mark Abraham	Fix pairlist bug	commit \| commitdiff \| tree
2019-08-23	Mark Abraham	Update clang-tidy to clang version 8	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Merge branch release-2019	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Improve clang-analyzer build time	commit \| commitdiff \| tree
2019-08-22	Mark Abraham	Fix release matrix	commit \| commitdiff \| tree
2019-08-21	Mark Abraham	Improve organization of LINCS reporting	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Apply clang-tidy-8 readability-uppercase-literal-suffix	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Use potential-shift as default modifier	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Reduce cosine acceleration quantity properly	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Fix issues for clang-analyzer-8	commit \| commitdiff \| tree
2019-08-19	Mark Abraham	Modernize t_matrix, t_mapping, t_rgb	commit \| commitdiff \| tree
2019-08-19	Mark Abraham	Modernize t_psdata	commit \| commitdiff \| tree
2019-08-16	Mark Abraham	Update testing matrices and fix warnings	commit \| commitdiff \| tree
2019-08-16	Mark Abraham	Move keyvaluetreewriter code	commit \| commitdiff \| tree
2019-08-16	Mark Abraham	Stop nbnxm/grid.h depending on SIMD module	commit \| commitdiff \| tree
2019-08-15	Mark Abraham	Remove run-time check from calc_shifts	commit \| commitdiff \| tree
2019-08-14	Mark Abraham	Fix vv integrators	commit \| commitdiff \| tree
2019-08-13	Mark Abraham	Remove workaround for buggy cmake	commit \| commitdiff \| tree
2019-08-13	Mark Abraham	Fix icc 19 codegen issue	commit \| commitdiff \| tree
2019-08-12	Mark Abraham	Quiet warning	commit \| commitdiff \| tree
2019-08-12	Mark Abraham	Fix ocl_kernel target	commit \| commitdiff \| tree
2019-08-08	Mark Abraham	Fix estimate of the size of a j list	commit \| commitdiff \| tree
2019-08-08	Mark Abraham	Initialize gmx_ekindata_t and t_vcm properly	commit \| commitdiff \| tree
2019-08-08	Mark Abraham	Stop testing ICC on Windows	commit \| commitdiff \| tree
2019-08-06	Mark Abraham	Fix for MSVC+CUDA	commit \| commitdiff \| tree
2019-08-05	Mark Abraham	Add quote	commit \| commitdiff \| tree
2019-08-05	Mark Abraham	Remove libgromacs_generated contributions from FindCUDA...	commit \| commitdiff \| tree
2019-08-01	Mark Abraham	Manage compiler flags and some include options per...	commit \| commitdiff \| tree
2019-08-01	Mark Abraham	Improve use of object libraries in libgromacs	commit \| commitdiff \| tree
2019-08-01	Mark Abraham	Merge "Merge release-2019 into master"	commit \| commitdiff \| tree
2019-07-24	Mark Abraham	Remove tests of make_unique	commit \| commitdiff \| tree
2019-07-23	Mark Abraham	Update developer guide	commit \| commitdiff \| tree
2019-07-16	Mark Abraham	Add gpubufferops test matrix	commit \| commitdiff \| tree
2019-07-11	Mark Abraham	Fix pre-submit build matrix and description	commit \| commitdiff \| tree
2019-07-08	Mark Abraham	Fix hwloc and sphinx detection	commit \| commitdiff \| tree
2019-07-08	Mark Abraham	Test specific hwloc versions	commit \| commitdiff \| tree
2019-07-05	Mark Abraham	Improve tests of index block construction	commit \| commitdiff \| tree
2019-07-05	Mark Abraham	Modernize FindHwloc.cmake	commit \| commitdiff \| tree
2019-07-04	Mark Abraham	Further clang-tidy-7 fix	commit \| commitdiff \| tree
2019-07-04	Mark Abraham	Fix clang-tidy-7 issues	commit \| commitdiff \| tree
2019-07-03	Mark Abraham	Reorder options	commit \| commitdiff \| tree
2019-07-02	Mark Abraham	Clarify wording of release notes	commit \| commitdiff \| tree
2019-06-18	Mark Abraham	Move code handling mdrun -gpu_id to taskassignment...	commit \| commitdiff \| tree
2019-06-12	Mark Abraham	Fix pygments detection for sphinx for docs build	commit \| commitdiff \| tree
2019-06-11	Mark Abraham	Use RAII approaches for hardware information detection	commit \| commitdiff \| tree
2019-06-11	Mark Abraham	Clean up multisim, communication, and REMD code	commit \| commitdiff \| tree
2019-06-11	Mark Abraham	Initialize all of gmx_domdec_comm_t	commit \| commitdiff \| tree
2019-05-24	Mark Abraham	Reorder code before thread-MPI spawns threads	commit \| commitdiff \| tree
2019-05-23	Mark Abraham	Teach ArrayRefWithPadding to make a const flavour	commit \| commitdiff \| tree
2019-05-23	Mark Abraham	Revert "Fixed dvdlambda for SHAKE + FE"	commit \| commitdiff \| tree
2019-05-22	Mark Abraham	Rewrite starting behavior	commit \| commitdiff \| tree
2019-05-22	Mark Abraham	Introduce tri-state enums for restarts	commit \| commitdiff \| tree
2019-05-22	Mark Abraham	Move functionality to mdrunutility	commit \| commitdiff \| tree
2019-05-20	Mark Abraham	Fix equation typo	commit \| commitdiff \| tree
2019-05-14	Mark Abraham	Update infrastructure needed for restart rewrite	commit \| commitdiff \| tree
2019-05-08	Mark Abraham	Provide hook for forks of GROMACS to describe themselves	commit \| commitdiff \| tree
2019-05-07	Mark Abraham	Provide better help for using libc++	commit \| commitdiff \| tree
2019-05-07	Mark Abraham	Add an example of using an MPI wrapper compiler	commit \| commitdiff \| tree
2019-05-06	Mark Abraham	Improve how mdrun -noappend names output files	commit \| commitdiff \| tree
2019-05-03	Mark Abraham	More tests for how mdrun -cpi restarts handle files	commit \| commitdiff \| tree
2019-05-02	Mark Abraham	Enhance path search functions	commit \| commitdiff \| tree
2019-04-30	Mark Abraham	Test the output of "gmx mdrun help"	commit \| commitdiff \| tree
2019-04-25	Mark Abraham	Update style guide about class enums	commit \| commitdiff \| tree
2019-04-23	Mark Abraham	Clarify pushing of interaction types	commit \| commitdiff \| tree
2019-04-23	Mark Abraham	Updated clang -Weverything checks to clang-7	commit \| commitdiff \| tree
2019-04-18	Mark Abraham	Create gmx::compat::optional	commit \| commitdiff \| tree
2019-04-18	Mark Abraham	Move pull work struct out of inputrec	commit \| commitdiff \| tree
2019-04-18	Mark Abraham	Improve swapcoords session lifetime management	commit \| commitdiff \| tree
2019-04-17	Mark Abraham	Fix post-submit	commit \| commitdiff \| tree
2019-04-16	Mark Abraham	Removed mdrun -gcom	commit \| commitdiff \| tree
2019-04-13	Mark Abraham	Fix self-consistency tests of hwloc data structures	commit \| commitdiff \| tree
2019-04-12	Mark Abraham	Improve warning messages about duplicate definitions	commit \| commitdiff \| tree
2019-04-10	Mark Abraham	Start making IMD and swap model IMDModule	commit \| commitdiff \| tree
2019-04-10	Mark Abraham	Reuse rvecs_differ in InteractiveMD module	commit \| commitdiff \| tree
2019-04-10	Mark Abraham	Make ImdSession into a Pimpl-ed class with factory...	commit \| commitdiff \| tree
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