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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / applied_forces /
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-10-21 Berk HessAdd lambda state to dhdl.xvg with AWH fep tree | commitdiff
2021-10-21 Berk HessImprove AWH bias sharing documentation tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-11 Berk HessFix issues in AWH BiasSharing test tree | commitdiff
2021-10-06 Andrey AlekseenkoFix misc-misplaced-const and unused-parameter warnings tree | commitdiff
2021-10-05 Berk HessMake AWH bias sharing more flexible tree | commitdiff
2021-09-29 Dmitry MorozovActivate QMMM MDModule tree | commitdiff
2021-09-28 Dmitry MorozovImplementation of QMMM, QMMMSimulationParameterSetup... tree | commitdiff
2021-09-24 Dmitry MorozovAdded QMMMOptions class for managing mdp and KVT I/O tree | commitdiff
2021-09-23 Dmitry MorozovAdded QMMMForceProvider class for QMMM MdModule tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-14 Dmitry MorozovAdded class for making QMMM-related topology modifications tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-12 Dmitry MorozovAdded class for generating standard CP2K input tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-03 Berk HessMinor pull code cleanup tree | commitdiff
2021-05-27 Berk HessAdd AWH references tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-11 Mark AbrahamApply clang-format-11 tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-03 Gilles Gouaillardetdensityfitting: add missing include file tree | commitdiff
2021-05-03 Mark AbrahamFully define IndexGroupsAndNames tree | commitdiff
2021-04-30 Christoph Junghansfix build on F34 tree | commitdiff
2021-04-26 Artem ZhmurovClang-11 fixes for applied forces tree | commitdiff
2021-04-19 Artem ZhmurovMake XDR type into enum class tree | commitdiff
2021-04-17 Mark AbrahamRename files to follow style tree | commitdiff
2021-04-16 Paul BauerFix AWH input reading tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers tree | commitdiff
2021-03-31 Berk HessUse EnumerationArray for pull isAngleType tree | commitdiff
2021-03-25 Joe JordanUse ArrayRef in signatures of constraints and some... tree | commitdiff
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio... tree | commitdiff
2021-03-19 Paul BauerRemove mdatoms from forceprovider call signature tree | commitdiff
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-11 Artem ZhmurovFix clang-tidy failures in AWH tests tree | commitdiff
2021-03-10 Paul BauerMake AWH parameters proper C++ tree | commitdiff
2021-03-10 Paul BauerChange vector references to Arrayref in AWH tree | commitdiff
2021-03-09 ejjordanMove radian-angle conversions to math/utility tree | commitdiff
2021-03-09 Joe JordanUse constexpr for physical constants and move them... tree | commitdiff
2021-03-08 ejjordanRemove includes from math/utilities that are not needed... tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-04 Paul BauerModernize AWH enumerations tree | commitdiff
2021-03-02 Magnus LundborgDisable awh-potential=convolved when using AWH with... tree | commitdiff
2021-02-26 Magnus LundborgIntroduce a check (in grompp) that AWH FEP sampling... tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-19 Andrey AlekseenkoCorrect docs and add safeguard for non-pulsed electric... tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. tree | commitdiff
2020-12-09 Paul BauerFix indexing bug in electric field module tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-03 Magnus LundborgRemove TODO regarding AWH cover threshold along lambda... tree | commitdiff
2020-10-28 Berk HessCorrect AWH initial histogram size tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos tree | commitdiff
2020-10-16 Magnus LundborgWhen loading AWH user data do not convolve the bias... tree | commitdiff
2020-10-13 Joe JordanFix segfault in pull reading tree | commitdiff
2020-10-09 Berk HessAdd MTS support for pull and AWH tree | commitdiff
2020-10-09 Magnus LundborgAWH: Remove random term from FEP tests tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-05 Paul BauerFix doxygen warnings tree | commitdiff
2020-09-21 Magnus LundborgAWH avoid constructors only differing in parameter... tree | commitdiff
2020-09-16 Christian BlauExtend user docs on affine transformations for densities tree | commitdiff
2020-09-15 Christian BlauAll coordinates in the density-guided-simulation group... tree | commitdiff
2020-09-09 M. Eric IrrgangExplicitly include STL headers used in test. tree | commitdiff
2020-09-08 Christian BlauAllow density-guided simulations to translate structure tree | commitdiff
2020-09-08 Paul BauerMove densityfitting to its own directory tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-10 Christian BlauMove density fitting checkpointing into state tree | commitdiff
2020-07-29 Kevin BoydFix undefined behavior flagged by UBSAN tree | commitdiff
2020-07-15 Mark AbrahamDivide default communicator from DD communicators tree | commitdiff
2020-07-07 Paul BauerMove densityfitting to its own directory tree | commitdiff
2020-07-02 Christian BlauCoordinate transformation on single RVecs tree | commitdiff
2020-05-19 Paul BauerRemove unnecessary includes of arrayref.h tree | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2020-04-30 M. Eric IrrgangUpdate header sorting. tree | commitdiff
2020-04-30 M. Eric IrrgangRequire C++17 standard and STL features. tree | commitdiff
2020-04-14 Pascal MerzMake bonded interaction checking more robust (modular... tree | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 tree | commitdiff
2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption tree | commitdiff
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier tree | commitdiff
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests tree | commitdiff
2020-03-05 Christian BlauAdd function calls to MdModules to sign up for notifica... tree | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master tree | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 tree | commitdiff
2020-02-18 Christian BlauSplit MdModuleNotifications into topics tree | commitdiff
2020-01-28 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class tree | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 tree | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
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