biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2021-11-02 Mark AbrahamEcho the path to and version of CMake for CI builds commit | commitdiff | tree | snapshot
2021-11-02 Berk HessAdd second LINCS atom update task commit | commitdiff | tree | snapshot
2021-11-01 Mark AbrahamAdd missing MPI_Barrier to MpiTest commit | commitdiff | tree | snapshot
2021-11-01 Eliane BriandAdd DSSP v4 support to do_dssp commit | commitdiff | tree | snapshot
2021-11-01 Szilárd PállFix hipSYCL build with CUDA target commit | commitdiff | tree | snapshot
2021-10-30 Andrey AlekseenkoSilence clang-tidy warnings commit | commitdiff | tree | snapshot
2021-10-30 Andrey AlekseenkoSet up event consumption counter in DomDecMpiTests commit | commitdiff | tree | snapshot
2021-10-29 Magnus LundborgAllow TNG to TNG file conversion without time per frame... commit | commitdiff | tree | snapshot
2021-10-29 Alan GraySimplify GPU force reduction conditionals commit | commitdiff | tree | snapshot
2021-10-29 Berk HessReimplement constant acceleration groups commit | commitdiff | tree | snapshot
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests commit | commitdiff | tree | snapshot
2021-10-28 Berk HessDocument and clean up do_numbering() commit | commitdiff | tree | snapshot
2021-10-28 Berk HessUpdate copyright year for tests/grompp.cpp commit | commitdiff | tree | snapshot
2021-10-27 Andrey AlekseenkoDisable GPU buffer ops when using MTS commit | commitdiff | tree | snapshot
2021-10-27 Berk HessAdd Oliver Fleetwood as a contributor commit | commitdiff | tree | snapshot
2021-10-27 Szilárd PállUnify coordinate copy handling across GPU platforms commit | commitdiff | tree | snapshot
2021-10-27 Oliver FleetwoodAdd preprocessing and integration test for transformati... commit | commitdiff | tree | snapshot
2021-10-27 M. Eric IrrgangUse CMake project versioning convention. commit | commitdiff | tree | snapshot
2021-10-27 M. Eric IrrgangMark gmxapi 0.3b1. commit | commitdiff | tree | snapshot
2021-10-27 Joe JordanFix norm calculation in gmx_spatial commit | commitdiff | tree | snapshot
2021-10-27 Paul BauerFix link for dssp download commit | commitdiff | tree | snapshot
2021-10-27 Joe JordanThrow on failure in gmx_file_rename commit | commitdiff | tree | snapshot
2021-10-26 Kevin BoydAdd -maxtau option to gmx msd commit | commitdiff | tree | snapshot
2021-10-26 ejjordanDocument clang11 in developer docs commit | commitdiff | tree | snapshot
2021-10-26 Mark AbrahamRemove short-circuit logic for OpenMP setup commit | commitdiff | tree | snapshot
2021-10-26 Joe JordanUse correct c0 parameter in Me2PO4 in OPLSAA commit | commitdiff | tree | snapshot
2021-10-26 ejjordanAdd parser tests dependency to tests commit | commitdiff | tree | snapshot
2021-10-26 Alan GrayInsert barrier after each GPU halo test commit | commitdiff | tree | snapshot
2021-10-26 Artem ZhmurovFix the cobined bending-torsion potential entry in... commit | commitdiff | tree | snapshot
2021-10-26 Mark AbrahamMinor improvements to gmx wham output commit | commitdiff | tree | snapshot
2021-10-26 Mark AbrahamRemove/replace many mentions of Jenkins commit | commitdiff | tree | snapshot
2021-10-26 Joe JordanAdd missing parameter to dihedral docs commit | commitdiff | tree | snapshot
2021-10-25 Andrey AlekseenkoSilence Clang's constant-logical-operand warning commit | commitdiff | tree | snapshot
2021-10-25 Roland SchulzFix #3300 commit | commitdiff | tree | snapshot
2021-10-24 Kevin BoydUpdate release notes for gmx msd and clear some TODOs commit | commitdiff | tree | snapshot
2021-10-22 Andrey AlekseenkoGet rid of sycl::buffer::reinterpret commit | commitdiff | tree | snapshot
2021-10-22 Mark AbrahamAdd utility dependency to libmdrun_test_infrastructure commit | commitdiff | tree | snapshot
2021-10-22 Mark AbrahamMake linker errors fail the CI builds commit | commitdiff | tree | snapshot
2021-10-22 Andrey AlekseenkoActivate GPU update support in SYCL build commit | commitdiff | tree | snapshot
2021-10-22 Mark AbrahamFix cuda clang-tidy issues commit | commitdiff | tree | snapshot
2021-10-22 ejjordanImprove doxygen in some nblib listed forces files commit | commitdiff | tree | snapshot
2021-10-22 Magnus LundborgAvoid comparing Simd types to real 0 when making masks... commit | commitdiff | tree | snapshot
2021-10-22 ejjordanFix nblib pairlist update function commit | commitdiff | tree | snapshot
2021-10-21 Sebastian KehlFix use of simd-masks in gapsys softcore. commit | commitdiff | tree | snapshot
2021-10-21 Dmitry MorozovAdded pkg-config detection of libcp2k #3172 commit | commitdiff | tree | snapshot
2021-10-21 Andrey AlekseenkoBalance event consumption for GPU update code path commit | commitdiff | tree | snapshot
2021-10-21 Mark AbrahamSupport clang 13 in CI commit | commitdiff | tree | snapshot
2021-10-21 Magnus LundborgMinor code clean-up in the NB FEP kernel. commit | commitdiff | tree | snapshot
2021-10-21 Joe JordanExpand signatures for nblib listed forces calculator commit | commitdiff | tree | snapshot
2021-10-21 Magnus LundborgImprove variable naming in NB FEP kernel for loop. commit | commitdiff | tree | snapshot
2021-10-21 Berk HessAdd lambda state to dhdl.xvg with AWH fep commit | commitdiff | tree | snapshot
2021-10-21 Andrey AlekseenkoUnify a bit decideWhetherToUseGpusForPme* functions commit | commitdiff | tree | snapshot
2021-10-21 M. Eric IrrgangRearrange docker build script. commit | commitdiff | tree | snapshot
2021-10-21 Joe JordanAdd helper functions for setting up Nbnxm gpu object... commit | commitdiff | tree | snapshot
2021-10-21 M. Eric IrrgangImprove detection of sphinx-build. commit | commitdiff | tree | snapshot
2021-10-21 Mark AbrahamRefactor PME tests for better usability commit | commitdiff | tree | snapshot
2021-10-21 Berk HessImprove AWH bias sharing documentation commit | commitdiff | tree | snapshot
2021-10-21 M. Eric IrrgangClean up some gmxapi sources and tests. commit | commitdiff | tree | snapshot
2021-10-20 Andrey AlekseenkoUpdate CI containers to oneAPI 2021.4.0 commit | commitdiff | tree | snapshot
2021-10-20 Andrey AlekseenkoFix compiler warnings with OpenCL + oneAPI 2021.4 commit | commitdiff | tree | snapshot
2021-10-20 M. Eric IrrgangMinor clean-up to docker build script. commit | commitdiff | tree | snapshot
2021-10-19 Roland SchulzFix warnings with Intel 2021.4 commit | commitdiff | tree | snapshot
2021-10-19 M. Eric IrrgangPre-install Python dependencies in CI Docker images. commit | commitdiff | tree | snapshot
2021-10-19 Andrey AlekseenkoFix SYCL PME Solve kernel commit | commitdiff | tree | snapshot
2021-10-19 UnknownResolve UBSAN error in NBLIB test commit | commitdiff | tree | snapshot
2021-10-19 Mark AbrahamAnother clang-tidy fix for new GPU code commit | commitdiff | tree | snapshot
2021-10-19 Andrey AlekseenkoFix harmless Sphinx warning commit | commitdiff | tree | snapshot
2021-10-18 Andrey AlekseenkoMerge release-2021 into master commit | commitdiff | tree | snapshot
2021-10-18 Andrey AlekseenkoEnable kernel compiler cache for SYCL DPC++ commit | commitdiff | tree | snapshot
2021-10-18 Andrey AlekseenkoFix UB when generating local indices for constraints commit | commitdiff | tree | snapshot
2021-10-18 Mark AbrahamFix clang-tidy error in new GPU code commit | commitdiff | tree | snapshot
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP commit | commitdiff | tree | snapshot
2021-10-15 M. Eric IrrgangRequire pybind 2.6 from environment for gmxapi Python... commit | commitdiff | tree | snapshot
2021-10-15 Andrey AlekseenkoResolve "SYCL + DPCPP cmake config fails in gmxManageFF... commit | commitdiff | tree | snapshot
2021-10-15 Mark AbrahamMake failure to find CUDA-aware MPI work correctly. commit | commitdiff | tree | snapshot
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms commit | commitdiff | tree | snapshot
2021-10-14 Andrey AlekseenkoImprove stability of ContinuationIsExact tests commit | commitdiff | tree | snapshot
2021-10-13 Berk HessMade gromacs work again without MPI commit | commitdiff | tree | snapshot
2021-10-13 Andrey AlekseenkoFix fft/CMakeLists when compiling with hipSYCL commit | commitdiff | tree | snapshot
2021-10-13 Mark AbrahamImplement PME solve in SYCL commit | commitdiff | tree | snapshot
2021-10-13 M. Eric IrrgangFix typos regarding FindPython3 CMake module hint. commit | commitdiff | tree | snapshot
2021-10-13 Andrey AlekseenkoFix clang-tidy complaints commit | commitdiff | tree | snapshot
2021-10-12 Andrey AlekseenkoStop timers in GpuForceReduction with no atoms commit | commitdiff | tree | snapshot
2021-10-11 M. Eric IrrgangFix typo in code comment. commit | commitdiff | tree | snapshot
2021-10-11 M. Eric IrrgangRemove broken CMake option from python_packaging Docker... commit | commitdiff | tree | snapshot
2021-10-11 Alan GrayBug fix for irregular replex steps with GPU update commit | commitdiff | tree | snapshot
2021-10-11 Berk HessFix issues in AWH BiasSharing test commit | commitdiff | tree | snapshot
2021-10-11 Andrey AlekseenkoReduce noise in CI logs from the "for" loop commit | commitdiff | tree | snapshot
2021-10-11 M. Eric IrrgangNormalize API tests. commit | commitdiff | tree | snapshot
2021-10-11 M. Eric IrrgangMore robust preparation for MPI tests. commit | commitdiff | tree | snapshot
2021-10-10 M. Eric IrrgangSatisfy nblib dependencies with updated library targets. commit | commitdiff | tree | snapshot
2021-10-09 Andrey AlekseenkoSYCL: Reduce local memory usage of LINCS kernel commit | commitdiff | tree | snapshot
2021-10-09 M. Eric IrrgangNormalize testutils use in `api/` directory. commit | commitdiff | tree | snapshot
2021-10-08 Sebastian KehlAdapt testcases for gapsys softcore commit | commitdiff | tree | snapshot
2021-10-08 Joe JordanAdd nblib tpr reading commit | commitdiff | tree | snapshot
2021-10-08 Mark AbrahamFirst 2022 beta release commit | commitdiff | tree | snapshot
2021-10-08 M. Eric IrrgangAdd missing `#include`. commit | commitdiff | tree | snapshot
2021-10-07 Joe JordanIntroduce nblib nonbonded force calculator impl class commit | commitdiff | tree | snapshot
2021-10-06 Pascal MerzImplement pull for modular simulator commit | commitdiff | tree | snapshot
2021-10-06 Andrey AlekseenkoFix misc-misplaced-const and unused-parameter warnings commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff