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Update rules for release-2021.
[alexxy/gromacs.git] / src /
2020-12-04 Magnus LundborgAdded scalar functions cbrt as well as masked Rcp tree | commitdiff
2020-12-04 Mark AbrahamFix mdrun-only build tree | commitdiff
2020-12-03 M. Eric IrrgangImprove gmxapi C++ test coverage for failed mdrun. tree | commitdiff
2020-12-02 M. Eric IrrgangOne argument per line for long function signatures. 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
2020-11-24 Paul BauerFix gmx h2order -d option tree | commitdiff
2020-11-24 Erik LindahlMake sure frexp() returns correct for argument 0.0 tree | commitdiff
2020-11-24 Artem ZhmurovImprove handling of CUDA API errors tree | commitdiff
2020-11-23 Paul BauerFixes for Intel and container build fixes tree | commitdiff
2020-11-23 Magnus LundborgProperly check if there are perturbed constraints or... tree | commitdiff
2020-11-23 Artem ZhmurovMake corresponding device active before each TestDevice... tree | commitdiff
2020-11-23 Artem ZhmurovSeparate VV first and second steps from MD loop tree | commitdiff
2020-11-23 Artem ZhmurovRemove coolquote that sounds offensive without context tree | commitdiff
2020-11-22 Christoph Junghanscmake: add trxio.h to legacy api interface tree | commitdiff
2020-11-20 Paul BauerFix missing copyright changes tree | commitdiff
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. tree | commitdiff
2020-11-17 Artem ZhmurovUse lambdas to get the list of PBC names from the map... tree | commitdiff
2020-11-17 M. Eric IrrgangSeparate the testutils module. tree | commitdiff
2020-11-13 M. Eric IrrgangBe more explicit about build-tree-only dependencies. tree | commitdiff
2020-11-13 Gilles GouaillardetDetect ARM SVE Vector length if possible 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
2020-11-11 Paul BauerFix gmx do_dssp CHARMM support tree | commitdiff
2020-11-11 Szilárd PállFix gcc 9 "warning: ‘unused’ attribute ignored" tree | commitdiff
2020-11-11 Paul BauerFix segmentation fault in gmx pairdist tree | commitdiff
2020-11-11 Andrey AlekseenkoMake eelType and evdwType scoped enums, + cleanup tree | commitdiff
2020-11-11 Berk HessUpdate gmx msd documentation tree | commitdiff
2020-11-10 Andrey AlekseenkoFix "GMX_CUDA|OCL_NB_EWALD_TWINCUT is disabling twin... tree | commitdiff
2020-11-10 Szilárd PállGPU codepath cycle counting fixes tree | commitdiff
2020-11-10 Mark AbrahamAdd move operations to GpuHaloExchange tree | commitdiff
2020-11-10 Berk HessFix dHdl and foreign energy clearing at checkpointing tree | commitdiff
2020-11-10 Pascal MerzFix MTTK constant energy bugs tree | commitdiff
2020-11-09 Andrey AlekseenkoAdd SYCL implementation of LeapFrogGpu tree | commitdiff
2020-11-09 Andrey AlekseenkoFix intemittent MdrunIOTests segfault tree | commitdiff
2020-11-09 Artem ZhmurovRemove source file that is no longer in use tree | commitdiff
2020-11-09 Szilárd PállFix cycle counting in StatePropagatorDataGpu tree | commitdiff
2020-11-09 Berk HessMove implementation to cpp file tree | commitdiff
2020-11-09 Alan GrayUse dynamically allocated unique pointers for GPU halo... tree | commitdiff
2020-11-06 Andrey AlekseenkoSuggest environment variable to limit visible SYCL... tree | commitdiff
2020-11-06 Artem ZhmurovFix doxygen comments formattig in update.h tree | commitdiff
2020-11-05 Andrey AlekseenkoSlightly refactor AmdZen1 detection code tree | commitdiff
2020-11-05 Paul BauerAllow pdb2gmx to handle cyclic molecules tree | commitdiff
2020-11-05 Paul BauerAllow CUDA build tests to succeed without GPU tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-05 Berk HessDisable MTS with SD integrator tree | commitdiff
2020-11-05 Magnus LundborgSet pbcatom_input in order to pass later checks tree | commitdiff
2020-11-05 Berk HessCopy position restraint parameters with MTS tree | commitdiff
2020-11-05 Mark AbrahamImprove issues with CUDA interacting with std flags tree | commitdiff
2020-11-04 Alan GrayAllow GPU update without GPU DD tree | commitdiff
2020-11-04 Mark AbrahamFix use of config.h in halo exchange tests 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 Alan GrayAdd more halo exchange unit test variations tree | commitdiff
2020-11-03 Szilárd PállAdd missing wallcycle_stop tree | commitdiff
2020-11-03 Alan GrayExtend halo exchange unit test to GPU codepath tree | commitdiff
2020-11-03 Gilles Gouaillardettiming: try to directly retrieve gmx_cycles_calibrate... tree | commitdiff
2020-11-03 Magnus LundborgRemove TODO regarding AWH cover threshold along lambda... tree | commitdiff
2020-11-03 Artem ZhmurovMake the message why GPU bondeds are not available... tree | commitdiff
2020-10-30 Paul BauerFix unused variable warnings tree | commitdiff
2020-10-30 Paul BauerAdd missing fix for Clang CUDA tree | commitdiff
2020-10-30 Paul BauerFix build issues with Clang CUDA tree | commitdiff
2020-10-30 Szilárd PállClang format tree | commitdiff
2020-10-30 Szilárd PállAdd fvec doxygen tree | commitdiff
2020-10-30 Szilárd PállFix AMD OpenCL float3 array optimization bug tree | commitdiff
2020-10-29 Paul BauerFix CUDA code issues tree | commitdiff
2020-10-29 Andrey AlekseenkoNarrow-down Intel-specific #ifdef's tree | commitdiff
2020-10-29 Paul BauerDefault initialize pull datastructures tree | commitdiff
2020-10-28 Andrey AlekseenkoMake dispatchTemplatedFunction compatible with MSVC tree | commitdiff
2020-10-28 Berk HessCorrect AWH initial histogram size tree | commitdiff
2020-10-28 Gilles Gouaillardetoptions: add the eftCSV OptionFileType tree | commitdiff
2020-10-28 Andrey AlekseenkoAdd dispatchTemplatedFunction tree | commitdiff
2020-10-27 Paul BauerFix remaining clang tidy issues with OpenCL tree | commitdiff
2020-10-27 Paul BauerMix minor clang-tidy warning in double tree | commitdiff
2020-10-27 Szilárd PállFix clang-tidy v10 warnigns in OpenCL kernels tree | commitdiff
2020-10-27 M. Eric IrrgangClarify behavior of LegacyMdrunOptions. tree | commitdiff
2020-10-27 Berk HessRefactor MTS preprocessing and checking tree | commitdiff
2020-10-27 Artem ZhmurovRemove unused velocity scaling enum value tree | commitdiff
2020-10-26 Artem ZhmurovClear constraints RMSD values upon domains reset tree | commitdiff
2020-10-23 Roland SchulzFix warning with OneAPI compiler and AVX512 tree | commitdiff
2020-10-23 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-10-22 Artem ZhmurovUse and properly initialize PRNG when hardware random... tree | commitdiff
2020-10-22 Artem ZhmurovIntroduce intermediate variable so that compiler will... tree | commitdiff
2020-10-22 Artem ZhmurovFix formatting of the authors list tree | commitdiff
2020-10-22 Szilárd PállAdd missing GPU force reduction cycle counting tree | commitdiff
2020-10-22 Andrey AlekseenkoTrajectoryElement: initialize and rename logWritingStep_ tree | commitdiff
2020-10-21 Berk HessFix pull code bug with DD and atom sets tree | commitdiff
2020-10-21 Christian BlauEnsure that gmx covar does not access indices out of... tree | commitdiff
2020-10-21 Szilárd PállAdd missing cycle counting for GPU halo exchange calls tree | commitdiff
2020-10-21 Andrey AlekseenkoRevert "densityfit: Fix inconsistent use of iterators" tree | commitdiff
2020-10-21 Andrey Alekseenkodensityfit: Fix inconsistent use of iterators tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-19 Paul BauerRevert "Add muparser and CMake handling" tree | commitdiff
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos tree | commitdiff
2020-10-19 Erik LindahlNew Twitter-based quote tree | commitdiff
2020-10-19 Alan GrayHalo exchange unit test for pre-existing CPU codepath tree | commitdiff
2020-10-16 Magnus LundborgWhen loading AWH user data do not convolve the bias... tree | commitdiff
2020-10-16 Alan GrayFix for force copy dependency of GPU force reduction tree | commitdiff
2020-10-16 Mark AbrahamFixes for clang 11 tree | commitdiff
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