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Make stepWorkload.useGpuXBufferOps flag consistent
[alexxy/gromacs.git] / src / programs /
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests tree | commitdiff
2021-10-28 Berk HessUpdate copyright year for tests/grompp.cpp tree | commitdiff
2021-10-27 Oliver FleetwoodAdd preprocessing and integration test for transformati... tree | commitdiff
2021-10-26 Mark AbrahamRemove/replace many mentions of Jenkins tree | commitdiff
2021-10-22 Mark AbrahamAdd utility dependency to libmdrun_test_infrastructure tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-14 Andrey AlekseenkoImprove stability of ContinuationIsExact tests tree | commitdiff
2021-10-11 Alan GrayBug fix for irregular replex steps with GPU update tree | commitdiff
2021-10-06 Pascal MerzImplement pull for modular simulator tree | commitdiff
2021-09-29 Artem ZhmurovUpdate links to googletests and remove some refs to... tree | commitdiff
2021-09-28 Gaurav GargAdd HeFFTe based FFT backend tree | commitdiff
2021-09-22 Roland SchulzFix out of bound vector access in vsites tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-10 Berk HessCompute correct dV/dl when nstcalcenergy % nstdhdl... tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-07-07 Pascal MerzFix modular simulator MTTK tree | commitdiff
2021-06-30 Pascal MerzUse MDP database for simulator equivalence tests tree | commitdiff
2021-06-30 Mark AbrahamTest with newer compilers in CI tree | commitdiff
2021-06-30 Berk HessPort basic pull test to gtest framework tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-07 Pascal MerzIntroduce Trotter decomposition / MTTK for modular... tree | commitdiff
2021-06-04 Pascal MerzPull and AWH exact continuation tests tree | commitdiff
2021-05-31 Pascal MerzIntroduce Andersen temperature coupling for modular... tree | commitdiff
2021-05-24 Pascal MerzImplement Berendsen and c-rescale pressure coupling... tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-11 Artem ZhmurovName the MDRun FEP test binary consistently 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
2021-04-20 ejjordanclang-tidy-11 fixes mdrun tests tree | commitdiff
2021-04-14 Pascal MerzImplement Nose-Hoover thermostat for leap-frog modular... tree | commitdiff
2021-04-12 Mark AbrahamRelax default tolerance on pressure comparisons tree | commitdiff
2021-04-02 Paul BauerMake FileOptionTypes enum class tree | commitdiff
2021-03-25 ejjordanFix some doxygen errors tree | commitdiff
2021-03-16 Kevin BoydMigrate gmx msd to the trajectoryanalysis framework tree | commitdiff
2021-03-10 Pascal MerzDon't test for pressure in replica exchange regression tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-01 Berk HessFix mass perturbation to dH/dlambda tree | commitdiff
2021-02-26 Pascal MerzIntroduce GTest regression tests for replica exchange tree | commitdiff
2021-02-25 Pascal MerzIncrease multsim test flexibility, test multisim + DD tree | commitdiff
2021-02-25 Pascal MerzFix testing of positions against reference data tree | commitdiff
2021-02-18 Pascal MerzImplement velocity terms for virtual sites tree | commitdiff
2021-02-17 Pascal MerzIntroduce test checking freeze groups tree | commitdiff
2021-02-16 Pascal MerzIntroduce virtual sites test 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
2021-01-11 Mark AbrahamRemove mdrun-only build configuration tree | commitdiff
2021-01-07 Pascal MerzFix periodic actions test tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-07 Pascal MerzSimplify test mdp handling 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
2020-12-15 Mark AbrahamUpdate deprecation statuses tree | commitdiff
2020-12-11 Pascal MerzRestrict force frame comparison for FEP tests tree | commitdiff
2020-12-11 Pascal MerzFix trx frame reading from modular simulator checkpoint... tree | commitdiff
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 tree | commitdiff
2020-12-04 Mark AbrahamFix mdrun-only build tree | commitdiff
2020-12-04 Pascal MerzRelax simulator comparison tests tree | commitdiff
2020-12-02 Pascal MerzFixes post submit broken by 05f02ab82 tree | commitdiff
2020-12-02 Pascal MerzSeparate simulator comparison tests tree | commitdiff
2020-12-02 Pascal MerzFix error when using simulator test with pre-defined... 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 M. Eric IrrgangSeparate the testutils module. tree | commitdiff
2020-11-13 M. Eric IrrgangProvide a catch-all target for library modules. tree | commitdiff
2020-11-12 Paul BauerFix thread mpi linking for mdrun only build tree | commitdiff
2020-11-12 M. Eric IrrgangProvide common library headers through new CMake target. tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-04 Mark AbrahamRemove logging from hardware detection tree | commitdiff
2020-11-04 M. Eric IrrgangEstablish `api/` as the home for installed headers. tree | commitdiff
2020-11-03 Gilles Gouaillardettiming: try to directly retrieve gmx_cycles_calibrate... tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-09 Berk HessAdd MTS support for pull and AWH tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-01 Artem ZhmurovAdd missing include into the tests comparison helper tree | commitdiff
2020-10-01 Paul BauerBreak up MPI tests tree | commitdiff
2020-09-30 Pascal MerzRegression-test-style Google tests for FEP tree | commitdiff
2020-09-30 Berk HessMove computeSlowForces into stepWork tree | commitdiff
2020-09-30 Paul BauerUpdate CI on 2020 branch tree | commitdiff
2020-09-30 Pascal MerzFix #3655 tree | commitdiff
2020-09-28 Berk HessFix dispersion correction table generation tree | commitdiff
2020-09-28 Giovanni BussiFixed incorrect enum tree | commitdiff
2020-09-27 Pascal MerzCompare trajectories to reference data tree | commitdiff
2020-09-25 Pascal MerzReplace FramesToCompare enum by MaxNumFrames tree | commitdiff
2020-09-23 Pascal MerzImplement Berendsen thermostat for modular simulator tree | commitdiff
2020-09-23 Mark AbrahamPermit comparison of only first frames tree | commitdiff
2020-09-22 Mark AbrahamSplit mdrun-test tree | commitdiff
2020-09-16 Paul BauerBreak off some tests from mdrun tests tree | commitdiff
2020-09-15 Paul BauerBreak off some tests from mdrun tests tree | commitdiff
2020-09-15 Christian BlauAll coordinates in the density-guided-simulation group... tree | commitdiff
2020-09-15 Erik LindahlFix minor warnings noticed by Intel compilers tree | commitdiff
2020-09-14 M. Eric IrrgangCreate and use SimulationInput module. tree | commitdiff
2020-09-14 Artem ZhmurovUse common device context header for OpenCL tree | commitdiff
2020-09-08 Christian BlauAllow density-guided simulations to translate structure tree | commitdiff
2020-09-08 Pascal MerzRemove dependency of EnergyData on t_state 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
2020-08-04 Erik LindahlSimplified uniform GPU selection in CMake tree | commitdiff
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