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2021-10-27	Paul Bauer	Fix link for dssp download	commit \| commitdiff \| tree
2021-09-14	Paul Bauer	Reenable GPUs in CI	commit \| commitdiff \| tree
2021-09-14	Paul Bauer	Revert "Temporarily lift requirement to detect GPUs...	commit \| commitdiff \| tree
2021-09-03	Paul Bauer	Add support for transformation pull coordinates	commit \| commitdiff \| tree
2021-08-31	Paul Bauer	Revert "Revert "Add muparser and CMake handling""	commit \| commitdiff \| tree
2021-08-19	Paul Bauer	Fix stale link in warning message.	commit \| commitdiff \| tree
2021-06-29	Paul Bauer	Merge branch release-2021 into master	commit \| commitdiff \| tree
2021-06-25	Paul Bauer	Fix wallcycle counting	commit \| commitdiff \| tree
2021-06-16	Paul Bauer	Remove workaround for old clang	commit \| commitdiff \| tree
2021-06-10	Paul Bauer	Update parts of the CPU CMAP kernel	commit \| commitdiff \| tree
2021-06-09	Paul Bauer	Add .clang-tidy file for nbnxn tests	commit \| commitdiff \| tree
2021-06-08	Paul Bauer	Allow selection of rocm version to install	commit \| commitdiff \| tree
2021-06-07	Paul Bauer	Use enum class for checkpoint version	commit \| commitdiff \| tree
2021-06-01	Paul Bauer	Fix gmx nmr -viol option	commit \| commitdiff \| tree
2021-05-28	Paul Bauer	Fix missing template declaration	commit \| commitdiff \| tree
2021-05-27	Paul Bauer	Disable CUDA clang-tidy test	commit \| commitdiff \| tree
2021-05-26	Paul Bauer	Fix clang tidy version for CUDA	commit \| commitdiff \| tree
2021-05-24	Paul Bauer	Add CUDA clang tidy build to CI	commit \| commitdiff \| tree
2021-05-24	Paul Bauer	Apply clang-tidy-11 fixes to CUDA files	commit \| commitdiff \| tree
2021-05-20	Paul Bauer	Disable ArrayRefDeathTests when building without assertions	commit \| commitdiff \| tree
2021-05-19	Paul Bauer	Add nullptr check in ArrayRef from array construction	commit \| commitdiff \| tree
2021-05-17	Paul Bauer	Fix webpage build	commit \| commitdiff \| tree
2021-05-17	Paul Bauer	Add missing release note	commit \| commitdiff \| tree
2021-05-15	Paul Bauer	Use InheritParentConfig: true in clang-tidy files	commit \| commitdiff \| tree
2021-05-11	Paul Bauer	Add test for single residue chain	commit \| commitdiff \| tree
2021-05-10	Paul Bauer	Make python check if modules are available for checksumming	commit \| commitdiff \| tree
2021-05-10	Paul Bauer	Make clang-tidy check more aggressive	commit \| commitdiff \| tree
2021-05-07	Paul Bauer	Merge branch release-2021 into merge-2021-into-master	commit \| commitdiff \| tree
2021-05-06	Paul Bauer	Use more modern clang for linters and sanitizers	commit \| commitdiff \| tree
2021-05-06	Paul Bauer	Remove UB in ArrayRef from array	commit \| commitdiff \| tree
2021-05-05	Paul Bauer	Prepare branch for 2021.2 point release	commit \| commitdiff \| tree
2021-05-05	Paul Bauer	GROMACS 2021.2 release	commit \| commitdiff \| tree
2021-05-05	Paul Bauer	Fix include order	commit \| commitdiff \| tree
2021-05-05	Paul Bauer	Apply misc clang-tidy-11 fixes	commit \| commitdiff \| tree
2021-05-04	Paul Bauer	Add known issues to user guide	commit \| commitdiff \| tree
2021-05-04	Paul Bauer	Use correct size for force vector in mdoutf	commit \| commitdiff \| tree
2021-04-26	Paul Bauer	Fix MSVC build	commit \| commitdiff \| tree
2021-04-26	Paul Bauer	Fix incorrect handling of single residue chains	commit \| commitdiff \| tree
2021-04-22	Paul Bauer	Fixes from clang-tidy-11 for signal handling	commit \| commitdiff \| tree
2021-04-22	Paul Bauer	Fix MSVC build	commit \| commitdiff \| tree
2021-04-22	Paul Bauer	Fix build with gcc-11	commit \| commitdiff \| tree
2021-04-20	Paul Bauer	Fix clang-format	commit \| commitdiff \| tree
2021-04-20	Paul Bauer	Fix possible UB in ArrayRef construction	commit \| commitdiff \| tree
2021-04-19	Paul Bauer	Set matching number of ranks for OpenCL GPU tests	commit \| commitdiff \| tree
2021-04-16	Paul Bauer	Fix AWH input reading	commit \| commitdiff \| tree
2021-04-14	Paul Bauer	Modernize wallcycle counting	commit \| commitdiff \| tree
2021-04-11	Paul Bauer	Fix Apple OpenCL build and add to CI	commit \| commitdiff \| tree
2021-04-02	Paul Bauer	Replace gmx_mtop_ilistloop_all	commit \| commitdiff \| tree
2021-04-02	Paul Bauer	Make FileOptionTypes enum class	commit \| commitdiff \| tree
2021-04-01	Paul Bauer	Remove dead code in sasa module	commit \| commitdiff \| tree
2021-03-31	Paul Bauer	Move cluster methods to its own file	commit \| commitdiff \| tree
2021-03-30	Paul Bauer	Fix some include guards in gmx ana	commit \| commitdiff \| tree
2021-03-26	Paul Bauer	Change logic for checksumming availability	commit \| commitdiff \| tree
2021-03-25	Paul Bauer	Fix webpage build	commit \| commitdiff \| tree
2021-03-24	Paul Bauer	Inline wallcycle counting functions	commit \| commitdiff \| tree
2021-03-24	Paul Bauer	Use TextWriter in msd tests	commit \| commitdiff \| tree
2021-03-23	Paul Bauer	Fix gromos bond types	commit \| commitdiff \| tree
2021-03-23	Paul Bauer	Prevent creating string from nullptr in plugin loading	commit \| commitdiff \| tree
2021-03-19	Paul Bauer	Bulk change to const ref for mtop	commit \| commitdiff \| tree
2021-03-19	Paul Bauer	Make wallcycle comments proper doxygen	commit \| commitdiff \| tree
2021-03-19	Paul Bauer	Remove mdatoms from forceprovider call signature	commit \| commitdiff \| tree
2021-03-18	Paul Bauer	Add wallcycle counting tests	commit \| commitdiff \| tree
2021-03-17	Paul Bauer	Fix errors overlooked in gmx msd changes	commit \| commitdiff \| tree
2021-03-15	Paul Bauer	Add subcycle counting to MPI build	commit \| commitdiff \| tree
2021-03-15	Paul Bauer	Move M_PI definition to math/units.h	commit \| commitdiff \| tree
2021-03-15	Paul Bauer	Add another cool quote.	commit \| commitdiff \| tree
2021-03-13	Paul Bauer	Remove cyclic dependency check from check-source	commit \| commitdiff \| tree
2021-03-12	Paul Bauer	Modernize PME GPU timing enums	commit \| commitdiff \| tree
2021-03-10	Paul Bauer	Make AWH parameters proper C++	commit \| commitdiff \| tree
2021-03-10	Paul Bauer	Change vector references to Arrayref in AWH	commit \| commitdiff \| tree
2021-03-09	Paul Bauer	Fix missing stdint.h	commit \| commitdiff \| tree
2021-03-08	Paul Bauer	Prepare branch for 2021.2 point release	commit \| commitdiff \| tree
2021-03-08	Paul Bauer	GROMACS 2021.1 release	commit \| commitdiff \| tree
2021-03-08	Paul Bauer	Fix copyright check	commit \| commitdiff \| tree
2021-03-08	Paul Bauer	Record Power9 test issues	commit \| commitdiff \| tree
2021-03-05	Paul Bauer	Remove physical constant enums	commit \| commitdiff \| tree
2021-03-05	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	commit \| commitdiff \| tree
2021-03-04	Paul Bauer	Modernize AWH enumerations	commit \| commitdiff \| tree
2021-03-03	Paul Bauer	Check version names to be correct for release	commit \| commitdiff \| tree
2021-03-03	Paul Bauer	GROMACS 2020.6 release	commit \| commitdiff \| tree
2021-03-02	Paul Bauer	Modernize atom enums	commit \| commitdiff \| tree
2021-03-02	Paul Bauer	Fix nightly clang-tidy build	commit \| commitdiff \| tree
2021-03-02	Paul Bauer	Use optional instead of magic numbers in preprocessing	commit \| commitdiff \| tree
2021-02-26	Paul Bauer	Add coverage build to post merge	commit \| commitdiff \| tree
2021-02-26	Paul Bauer	Fix webpage build	commit \| commitdiff \| tree
2021-02-24	Paul Bauer	Rework state checkpoint enum handling	commit \| commitdiff \| tree
2021-02-23	Paul Bauer	Fix range check bug in gmx covar	commit \| commitdiff \| tree
2021-02-22	Paul Bauer	Remove raw pointer to gmx_reverse_top	commit \| commitdiff \| tree
2021-02-22	Paul Bauer	Refactor md_enums	commit \| commitdiff \| tree
2021-02-18	Paul Bauer	Fix doxygen in SYCL code	commit \| commitdiff \| tree
2021-02-18	Paul Bauer	Update CMake requirement to 3.16.3	commit \| commitdiff \| tree
2021-02-15	Paul Bauer	Fix clang-tidy-11 for topology module	commit \| commitdiff \| tree
2021-02-13	Paul Bauer	Fix release docs build	commit \| commitdiff \| tree
2021-02-12	Paul Bauer	Remove unused function	commit \| commitdiff \| tree
2021-02-11	Paul Bauer	Prepare changes to docker images for python packages	commit \| commitdiff \| tree
2021-02-10	Paul Bauer	Fix llvm build in docker container	commit \| commitdiff \| tree
2021-02-09	Paul Bauer	Fix range check bug in gmx covar	commit \| commitdiff \| tree
2021-02-08	Paul Bauer	Tag images on the branch as release-2021	commit \| commitdiff \| tree
2021-02-08	Paul Bauer	Fix clang-tidy-11 for trajectoryanalysis	commit \| commitdiff \| tree
2021-02-08	Paul Bauer	Removed "math.h" included from clang-tidy	commit \| commitdiff \| tree
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