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Make stepWorkload.useGpuXBufferOps flag consistent
[alexxy/gromacs.git] / src / gromacs / mdlib / tests /
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-21 Berk HessAdd lambda state to dhdl.xvg with AWH fep tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-06 Artem ZhmurovAdd constraints test with multiple molecules tree | commitdiff
2021-09-29 Artem ZhmurovUse reference data in constraints tests tree | commitdiff
2021-09-27 Mark AbrahamUse ObservablesReducer for LINCS RMSD computation tree | commitdiff
2021-09-21 Andrey AlekseenkoFix rare UB / assertion failure in MdlibUnitTest tree | commitdiff
2021-09-15 Artem ZhmurovAdd SYCL implementation of LINCS tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-30 Berk HessMake orires work with DD particle reordering tree | commitdiff
2021-08-26 Artem ZhmurovMake the output of the constraints tests readable tree | commitdiff
2021-08-25 Berk HessEnable atom reordering in WholeMoleculeTransform tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-09 Artem ZhmurovAdd SYCL SETTLE kernel 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
2021-06-07 Dmitry MorozovAdded EnergyOutputRequestChecker notification for MDModules tree | commitdiff
2021-06-03 Artem ZhmurovMake constraints and SETTLE tests backend-agnostic tree | commitdiff
2021-05-24 Mark AbrahamRemove GMX_CONSTRVIR tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-13 Mark AbrahamDecouple update group handling from domain decompositio... 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
2021-05-06 Paul BauerRemove UB in ArrayRef from array tree | commitdiff
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes tree | commitdiff
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints tree | commitdiff
2021-04-23 Artem ZhmurovMake SETTLE setup code platform-agnostic tree | commitdiff
2021-04-22 Artem ZhmurovMake LINCS setup code platform-agnostic tree | commitdiff
2021-04-22 Mark AbrahamImprove UpdateGroups testing infra tree | commitdiff
2021-04-22 Mark AbrahamMore renaming for UpdateGroups tree | commitdiff
2021-04-21 ejjordanFinish removing t_mdatoms from update module tree | commitdiff
2021-04-21 Joe JordanMostly remove t_mdatoms from update signatures tree | commitdiff
2021-04-21 Joe JordanRename some enum names in ModuleMultiThread tree | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads tree | commitdiff
2021-04-17 Mark AbrahamRename files to follow style tree | commitdiff
2021-04-12 Joe JordanPass cFREEZE and cTC to update after DD partitioning tree | commitdiff
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers tree | commitdiff
2021-04-12 ejjordanConstructor for gmx_ekindata_t tree | commitdiff
2021-04-12 Joe JordanAdd a fourth coordinate to virial tests tree | commitdiff
2021-03-29 Joe JordanAdd tests for calcvir tree | commitdiff
2021-03-25 Joe JordanUse ArrayRef in signatures of constraints and some... tree | commitdiff
2021-03-19 Andrey AlekseenkoEnable compiling LeapFrog with hipSYCL tree | commitdiff
2021-03-19 Joe JordanMake non bonded energy terms enum class tree | commitdiff
2021-03-17 Andrey AlekseenkoUse DeviceBuffer in GPU update and NBNXM code tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-02 Andrey AlekseenkoSet up build with hipSYCL tree | commitdiff
2021-03-01 Joe JordanUse const ref for mtop and inputrec in EnergyOutput... tree | commitdiff
2021-02-22 Mark AbrahamFix code so clang-tidy no longer complains tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-20 Artem ZhmurovSet temperature scaling groups upon construction of... tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes tree | commitdiff
2021-02-08 Artem ZhmurovParametrize constraints test over the test systems tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-05 Christian BlauFix copyright year tree | commitdiff
2021-01-01 Michael ShirtsExpanded ensemble changes. 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
2020-11-24 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
2020-11-17 Artem ZhmurovUse lambdas to get the list of PBC names from the map... tree | commitdiff
2020-11-09 Andrey AlekseenkoAdd SYCL implementation of LeapFrogGpu tree | commitdiff
2020-11-09 Berk HessMove implementation to cpp file tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-07 Andrey AlekseenkoMake LeapFrogGpu less tied to CUDA tree | commitdiff
2020-10-07 Andrey Alekseenkomdlib/tests/leapfrog: Make GPU tests more platform... tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-06 Artem ZhmurovUse new GPU infrastructure in MDLib tests tree | commitdiff
2020-09-10 Christian BlauSimplify and fix how lambda values are set tree | commitdiff
2020-09-07 Pascal MerzMake EnergyOutput::addDataAtEnergyStep independent... tree | commitdiff
2020-09-07 Artem ZhmurovAccess the device status directly, remove the getter tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-24 Artem ZhmurovMove GPU devices management into hardware subfolder tree | commitdiff
2020-08-04 Erik LindahlSimplified uniform GPU selection in CMake tree | commitdiff
2020-07-15 Mark AbrahamDivide default communicator from DD communicators tree | commitdiff
2020-07-07 Christian BlauMove finalising routine into mtop tree | commitdiff
2020-06-24 Berk HessAdd class ListedForces tree | commitdiff
2020-06-09 Artem ZhmurovMake SD stuff private for update.cpp tree | commitdiff
2020-06-03 Berk HessTurn SettleData into a class tree | commitdiff
2020-05-26 Artem ZhmurovRemove the dependence on Constraints object on t_mdatoms tree | commitdiff
2020-05-25 Artem ZhmurovRemove dependence on t_mdatoms from GPU version of... tree | commitdiff
2020-05-22 Artem ZhmurovRemove dependence of constraints on t_mdatoms tree | commitdiff
2020-05-22 Artem ZhmurovRemove dependence of constraints on t_mdatoms tree | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 tree | commitdiff
2020-03-19 Artem ZhmurovStore DeviceInformation inside the DeviceContext class tree | commitdiff
2020-03-18 Berk HessRemove use of graph in do_force() tree | commitdiff
2020-03-13 Artem ZhmurovMake DeviceStream into a class tree | commitdiff
2020-03-09 Artem ZhmurovMake DeviceContext into a proper class tree | commitdiff
2020-03-07 Berk HessMake shake work without graph tree | commitdiff
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests tree | commitdiff
2020-03-05 Berk HessAdd InteractionDefinitions 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
2020-01-28 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-20 Artem ZhmurovRename SettleCuda to SettleGpu tree | commitdiff
2020-01-20 Berk HessUse ArrayRef(WithPadding) in constraint code tree | commitdiff
2020-01-20 Artem ZhmurovRename LincsCuda into LincsGpu tree | commitdiff
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