Split simulationWork.useGpuBufferOps into separate x and f flags
[alexxy/gromacs.git] / src / gromacs / trajectoryanalysis /
2021-10-26 Kevin BoydAdd -maxtau option to gmx msd
2021-10-24 Kevin BoydUpdate release notes for gmx msd and clear some TODOs
2021-10-18 Andrey AlekseenkoMerge release-2021 into master
2021-09-15 Mark AbrahamMake static selections of large index groups work.
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-06-29 Paul BauerMerge branch release-2021 into master
2021-06-15 Mark AbrahamRemove some NOLINT now that clang-tidy-11 is required
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files
2021-05-11 Mark AbrahamApply clang-format-11
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes
2021-04-23 Artem ZhmurovApply clang-11 fixes for fileio
2021-04-13 Kevin BoydReplace static trajectoryanalysismoduledata methods...
2021-04-02 Paul BauerMake FileOptionTypes enum class
2021-04-01 Paul BauerRemove dead code in sasa module
2021-03-24 Paul BauerUse TextWriter in msd tests
2021-03-19 Paul BauerBulk change to const ref for mtop
2021-03-17 Paul BauerFix errors overlooked in gmx msd changes
2021-03-16 Kevin BoydMigrate gmx msd to the trajectoryanalysis framework
2021-03-15 Paul BauerMove M_PI definition to math/units.h
2021-03-09 ejjordanMove radian-angle conversions to math/utility
2021-03-09 Joe JordanUse constexpr for physical constants and move them...
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-03-02 Paul BauerModernize atom enums
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-02-08 Paul BauerFix clang-tidy-11 for trajectoryanalysis
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr
2021-01-29 Mark AbrahamMerge branch release-2021
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2020-12-18 Mark AbrahamMerge branch release-2021
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree.
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021...
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020...
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules.
2020-11-17 M. Eric IrrgangSeparate the testutils module.
2020-11-13 M. Eric IrrgangProvide a catch-all target for library modules.
2020-11-12 M. Eric IrrgangProvide common library headers through new CMake target.
2020-11-11 Paul BauerFix segmentation fault in gmx pairdist
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-09 Paul BauerRemove under the hood editing of pdb files
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-08-31 Paul BauerMerge branch 'release-2020' into master
2020-07-15 Alexey ShvetsovAllow to compile template with gmx-lagacyapi enabled
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-04-29 M. Eric IrrgangApply more granular CTest time-out policy.
2020-04-27 M. Eric IrrgangResolve static analyzer warnings from google tests.
2020-04-08 Mark AbrahamFixes for clang-tidy-9
2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests
2020-03-05 Berk HessAdd InteractionDefinitions
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-02-23 ejjordanUse more forward declarations to removed header depende...
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class
2020-01-09 Mark AbrahamSplit lines with many copyright years
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2020-01-07 Paul BauerMerge branch origin/release-2020 into master
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-12-16 Berk HessUse ListOfLists in gmx_mtop_t and gmx_localtop_t
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-21 Mark AbrahamMerge branch release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-13 Erik LindahlUpdated physical constants to CODATA 2018
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-10 Paul BauerAdd method to extract clusters from trajectory
2019-09-09 Paul BauerAdd gmx convert-trj
2019-08-26 Paul BauerRemove installed headers from CMake
2019-08-22 Mark AbrahamMerge branch release-2019
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8
2019-08-06 M. Eric IrrgangConvert test infrastructure targets to static library...
2019-08-01 Paul BauerMerge release-2019 into master
2019-06-14 Paul BauerMerge branch release-2018 into release-2019
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge "Merge branch 'release-2019' into master"
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-14 Mark AbrahamFix use of selections referring to index groups
2019-02-07 Roland SchulzAdd ssize and remove static_casts
2019-02-04 Roland SchulzRename all source files from - to _ for consistency.
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-25 Mark AbrahamUse native cmake C++11 support
2019-01-23 Roland SchulzMerge release-2019 into master
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2019-01-11 Paul BauerMake AtomProperties class with Impl
2019-01-04 Paul BauerChange gmx_localtop_t to C++
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-09-21 Roland SchulzFix clang-tidy warnings for clang 7
2018-09-09 Mark AbrahamChange TopologyInformation implementation
2018-09-07 Roland Schulzclang-tidy: override
2018-08-29 Mark AbrahamMerge branch release-2018
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