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2020-08-17	Mark Abraham	Build fewer unnecessary SIMD kernels in CI	commit \| commitdiff \| tree
2020-08-16	Pascal Merz	Modular simulator: Don't wrap std::function in unique_ptr	commit \| commitdiff \| tree
2020-08-14	Artem Zhmurov	Fix DeviceStreamManager tests	commit \| commitdiff \| tree
2020-08-12	Jeff Hammond	implement AVX-512 second FMA detection	commit \| commitdiff \| tree
2020-08-07	Mark Abraham	Fix release build warning	commit \| commitdiff \| tree
2020-07-31	M. Eric Irrgang	Fix some minor typesetting issues.	commit \| commitdiff \| tree
2020-07-31	M. Eric Irrgang	Improve install docs links.	commit \| commitdiff \| tree
2020-07-31	Berk Hess	Move foreign potential energy accumulation	commit \| commitdiff \| tree
2020-07-29	M. Eric Irrgang	Use GMXAPI CMake option guard for gmxapi target declaration.	commit \| commitdiff \| tree
2020-07-29	Kevin Boyd	Fix undefined behavior flagged by UBSAN	commit \| commitdiff \| tree
2020-07-29	Artem Zhmurov	Revert c++-17 features that are not supported by CUDA...	commit \| commitdiff \| tree
2020-07-01	Roland Schulz	Simplify Iterators	commit \| commitdiff \| tree
2020-07-01	Paul Bauer	Disable failing builds for master branch	commit \| commitdiff \| tree
2020-06-26	Roland Schulz	MKL NULL->nullptr and remove dead code	commit \| commitdiff \| tree
2020-06-25	Mark Abraham	Restored the comment	commit \| commitdiff \| tree
2020-06-25	Artem Zhmurov	Make cl_nbparam into a struct	commit \| commitdiff \| tree
2020-06-24	Berk Hess	Add class ListedForces	commit \| commitdiff \| tree
2020-06-24	Berk Hess	Change grompp disres cost to linear	commit \| commitdiff \| tree
2020-06-24	Roland Schulz	Fix clFFT build without GMX_LOAD_PLUGINS	commit \| commitdiff \| tree
2020-06-23	Berk Hess	Add virtual site with one constructing atom	commit \| commitdiff \| tree
2020-06-23	Kevin Boyd	[WIP] Run regression tests under ASAN	commit \| commitdiff \| tree
2020-06-22	M. Eric Irrgang	Reformat pairs.cpp	commit \| commitdiff \| tree
2020-06-22	M. Eric Irrgang	Use Gromacs::gmx target to hint gmxapi tests.	commit \| commitdiff \| tree
2020-06-17	Erik Lindahl	Simplified uniform GPU selection in CMake	commit \| commitdiff \| tree
2020-06-15	Erik Lindahl	Replace trivalue options with plain booleans	commit \| commitdiff \| tree
2020-06-12	Artem Zhmurov	Replace compile_cpp_as_cuda(...) with CUDA runtime...	commit \| commitdiff \| tree
2020-06-09	M. Eric Irrgang	Compartmentalize job rules.	commit \| commitdiff \| tree
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	commit \| commitdiff \| tree
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	commit \| commitdiff \| tree
2020-06-05	Berk Hess	Remove COM from SETTLE	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Use moltype directly for obtaining residueAtomRanges	commit \| commitdiff \| tree
2020-06-04	Paul Bauer	Add ability to chose regressiontest commit and branch	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Cool quote	commit \| commitdiff \| tree
2020-06-03	Erik Lindahl	Remove 'register' storage class in clFFT	commit \| commitdiff \| tree
2020-06-03	Gilles Gouaillardet	nonbonded-benchmark: run combrule=none when the -all...	commit \| commitdiff \| tree
2020-06-02	Paul Bauer	Add function to get residue start and end	commit \| commitdiff \| tree
2020-06-01	Mark Abraham	Fix atomics configure test	commit \| commitdiff \| tree
2020-05-29	Mark Abraham	Make Cygwin build work	commit \| commitdiff \| tree
2020-05-28	M. Eric Irrgang	Remove unused (and broken) image from Docker image...	commit \| commitdiff \| tree
2020-05-26	Artem Zhmurov	Remove the dependence on Constraints object on t_mdatoms	commit \| commitdiff \| tree
2020-05-25	Paul Bauer	Fix clang-tidy warnings	commit \| commitdiff \| tree
2020-05-23	Paul Bauer	Modernize convert-tpr	commit \| commitdiff \| tree
2020-05-23	Paul Bauer	Add tests for tool help output writing	commit \| commitdiff \| tree
2020-05-15	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-05-14	M. Eric Irrgang	Reduce console log output from sample_restraint tests.	commit \| commitdiff \| tree
2020-05-14	Berk Hess	Extract postProcessForceWithShiftForces()	commit \| commitdiff \| tree
2020-05-14	Paul Bauer	Avoid CI errors from overloading resources	commit \| commitdiff \| tree
2020-05-12	Berk Hess	Extract helper force buffers to a separate class	commit \| commitdiff \| tree
2020-05-12	Berk Hess	Refactor virtual site interface	commit \| commitdiff \| tree
2020-05-12	Paul Bauer	Fix archive build	commit \| commitdiff \| tree
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	commit \| commitdiff \| tree
2020-05-05	Paul Bauer	Fix copyright	commit \| commitdiff \| tree
2020-05-04	Paul Bauer	Use test conversion script from source	commit \| commitdiff \| tree
2020-05-04	Paul Bauer	Fix incorrect header and linter scripts	commit \| commitdiff \| tree
2020-05-04	Pascal Merz	Catch errors in v-rescale and Parrinello-Rahman checkpointing	commit \| commitdiff \| tree
2020-05-01	Paul Bauer	Prepare for 2020.3	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	GROMACS version 2020.2	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Print base commit for source linters	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Fix incorrect header and linter scripts	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Remove bundled FindCUDA.cmake	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Disallow combination of gcc > 9 and IBM_VSX	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Fix compiler flag reporting	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Update cmake version for docs container	commit \| commitdiff \| tree
2020-04-29	Paul Bauer	Print base commit for source linters	commit \| commitdiff \| tree
2020-04-29	Paul Bauer	Use test conversion script from source	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Baseline commit	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Build python package for documentation builds	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Fix warning for return type	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Fix bug in source verification on Windows	commit \| commitdiff \| tree
2020-04-25	Paul Bauer	Use branch point also for format and copyright check	commit \| commitdiff \| tree
2020-04-25	M. Eric Irrgang	Note CUDA builds in job names.	commit \| commitdiff \| tree
2020-04-23	Paul Bauer	Make clang-tidy script more robust	commit \| commitdiff \| tree
2020-04-23	Paul Bauer	Fix parallel testing	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-22	Paul Bauer	Copy of CI from master to 2020	commit \| commitdiff \| tree
2020-04-17	Christian Blau	proposed fix for redmine bug #3403	commit \| commitdiff \| tree
2020-04-17	Paul Bauer	Fix check source not parsing errors and warnings correctly	commit \| commitdiff \| tree
2020-04-16	Mark Abraham	Introduce GMX_USE_SIMD_KERNELS cmake option	commit \| commitdiff \| tree
2020-04-16	Paul Bauer	Use GPU resources for build types again	commit \| commitdiff \| tree
2020-04-15	M. Eric Irrgang	Change default CMake version to 3.13.0 for CI images.	commit \| commitdiff \| tree
2020-04-14	Mark Abraham	Fix more clang warnings	commit \| commitdiff \| tree
2020-04-14	M. Eric Irrgang	Fix invalid gitlab-ci.yml	commit \| commitdiff \| tree
2020-04-13	Paul Bauer	Fix clang-tidy script and code issue	commit \| commitdiff \| tree
2020-04-12	Szilárd Páll	Fix clang 10 -Wimplicit-int-float-conversion warnings	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Finish removing ENCAD shifts and table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Update to clang-tidy-9	commit \| commitdiff \| tree
2020-04-10	Christoph Junghans	cmake: fix exported target	commit \| commitdiff \| tree
2020-04-06	Paul Bauer	Add AMD image build, v2	commit \| commitdiff \| tree
2020-04-02	M. Eric Irrgang	Modernize some Python subprocess calls.	commit \| commitdiff \| tree
2020-03-31	M. Eric Irrgang	Update scripts for all of the requested pre-commit...	commit \| commitdiff \| tree
2020-03-27	M. Eric Irrgang	Compartmentalize hpccm build stages.	commit \| commitdiff \| tree
2020-03-27	M. Eric Irrgang	Be friendlier w.r.t. linkchecker.	commit \| commitdiff \| tree
2020-03-23	Paul Bauer	Fix release builds on Gitlab with regressiontests	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize some more job names.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Simplify archive.gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove redundant jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Fix duplicate variables parameter.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Add required Infrastructure for Gitlab merges	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize naming for gromacs build/testing jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove some unnecessary indirection in job definitions.	commit \| commitdiff \| tree
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