biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2021-05-10 Andrey AlekseenkoSYCL: Allow copying an uninitialized DeviceBuffer object commit | commitdiff | tree | snapshot
2021-05-10 Szilárd PállMove PME-GPU do_force() local bool into stepWorkload commit | commitdiff | tree | snapshot
2021-05-10 Pascal MerzClarify builder-time data, introduce simulation-time... commit | commitdiff | tree | snapshot
2021-05-07 Berk HessMake debug printing work with empty domains commit | commitdiff | tree | snapshot
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master commit | commitdiff | tree | snapshot
2021-05-06 Paul BauerUse more modern clang for linters and sanitizers commit | commitdiff | tree | snapshot
2021-05-06 Paul BauerRemove UB in ArrayRef from array commit | commitdiff | tree | snapshot
2021-05-06 Pascal MerzUnify temperature and pressure coupling connection commit | commitdiff | tree | snapshot
2021-05-05 Berk HessConvert t_oriresdata to C++ commit | commitdiff | tree | snapshot
2021-05-05 Paul BauerPrepare branch for 2021.2 point release commit | commitdiff | tree | snapshot
2021-05-05 Paul BauerGROMACS 2021.2 release commit | commitdiff | tree | snapshot
2021-05-05 Pascal MerzAllow elements to request local kinetic energy update commit | commitdiff | tree | snapshot
2021-05-05 Andrey AlekseenkoMake common GPU Force Reduction code backend-agnostic commit | commitdiff | tree | snapshot
2021-05-05 Paul BauerFix include order commit | commitdiff | tree | snapshot
2021-05-05 Pascal MerzZero modular simulator total energy commit | commitdiff | tree | snapshot
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes commit | commitdiff | tree | snapshot
2021-05-05 Mark AbrahamRestore pull output to rerun commit | commitdiff | tree | snapshot
2021-05-05 Mark AbrahamBreak up dd_init_bondeds commit | commitdiff | tree | snapshot
2021-05-05 Joe JordanApply clang-tidy11 to tools commit | commitdiff | tree | snapshot
2021-05-05 ejjordanRemove dead functions from statistics module commit | commitdiff | tree | snapshot
2021-05-05 Joe JordanPass ArrayRefs to dispatchNonbondedKernel commit | commitdiff | tree | snapshot
2021-05-05 Joe JordanRemove mdatoms from coupling code and use more ArrayRef commit | commitdiff | tree | snapshot
2021-05-05 Roland SchulzFix compile with IntelLLVM and cmake 3.20 commit | commitdiff | tree | snapshot
2021-05-04 ejjordanRemove mdatoms from do_walls commit | commitdiff | tree | snapshot
2021-05-04 Andrey AlekseenkoFix GCC-11 warning commit | commitdiff | tree | snapshot
2021-05-04 ejjordanRemove mdatoms from vsite commit | commitdiff | tree | snapshot
2021-05-04 Joe JordanApply clang-tidy11 to statistics commit | commitdiff | tree | snapshot
2021-05-04 ejjordanUse enum : bool in commandline test commit | commitdiff | tree | snapshot
2021-05-04 Paul BauerAdd known issues to user guide commit | commitdiff | tree | snapshot
2021-05-04 Paul BauerUse correct size for force vector in mdoutf commit | commitdiff | tree | snapshot
2021-05-04 ejjordanPreven extension of DDBondedChecking commit | commitdiff | tree | snapshot
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints commit | commitdiff | tree | snapshot
2021-05-04 Mark AbrahamRemove some use of charge groups from domdec commit | commitdiff | tree | snapshot
2021-05-04 Eliane BriandRespect umask when creating temporary file commit | commitdiff | tree | snapshot
2021-05-03 ejjordanRemove mdatoms from pairs in listed forces commit | commitdiff | tree | snapshot
2021-05-03 Artem ZhmurovFix copyright year commit | commitdiff | tree | snapshot
2021-05-03 Mark AbrahamRespect umask when creating temporary file commit | commitdiff | tree | snapshot
2021-05-03 ejjordanRemove mdatoms from expanded commit | commitdiff | tree | snapshot
2021-05-03 Gilles Gouaillardetdensityfitting: add missing include file commit | commitdiff | tree | snapshot
2021-05-03 Artem ZhmurovFix clang-format commit | commitdiff | tree | snapshot
2021-05-03 Berk HessClean up DD bonded interaction assignment commit | commitdiff | tree | snapshot
2021-05-03 Szilárd PállMention the users forums on the user-guide front page commit | commitdiff | tree | snapshot
2021-05-03 Mark AbrahamReplace bool with enum class in DomdecOptions commit | commitdiff | tree | snapshot
2021-05-03 Joe JordanArrayRef in pme commit | commitdiff | tree | snapshot
2021-05-03 Mark AbrahamRemove redundant store commit | commitdiff | tree | snapshot
2021-05-03 Mark AbrahamTemporarily lift requirement to detect GPUs in CI commit | commitdiff | tree | snapshot
2021-05-03 Mark AbrahamFully define IndexGroupsAndNames commit | commitdiff | tree | snapshot
2021-05-03 Szilárd PállAllow using CPU PME with DD and GPU update commit | commitdiff | tree | snapshot
2021-04-30 Mark AbrahamProhibit SETTLE interactions on atoms with perturbed... commit | commitdiff | tree | snapshot
2021-04-30 Christoph Junghansfix build on F34 commit | commitdiff | tree | snapshot
2021-04-30 Mark AbrahamTemporarily lift requirement to detect GPUs in CI commit | commitdiff | tree | snapshot
2021-04-27 ejjordanRemove leftover function declaration from nbnxm atomdata commit | commitdiff | tree | snapshot
2021-04-27 Joe JordanApply clang-tidy11 to mdrun commit | commitdiff | tree | snapshot
2021-04-27 Joe JordanUnify constructor of nbnxn_atomdata_t commit | commitdiff | tree | snapshot
2021-04-27 Joe JordanConstructor for t_mde_delta_h_coll commit | commitdiff | tree | snapshot
2021-04-27 ejjordanIncrease const correctness of t_mdatoms use in md.cpp commit | commitdiff | tree | snapshot
2021-04-26 Joe JordanRemove inputrec from initialize_lambdas signature commit | commitdiff | tree | snapshot
2021-04-26 ejjordanApply clang-tidy11 to correlationfunctions commit | commitdiff | tree | snapshot
2021-04-26 ejjordanApply clang-tidy11 to simd commit | commitdiff | tree | snapshot
2021-04-26 ejjordanApply clang-tidy11 to random commit | commitdiff | tree | snapshot
2021-04-26 ejjordanApply clang-tidy11 to commandline commit | commitdiff | tree | snapshot
2021-04-26 Paul BauerFix MSVC build commit | commitdiff | tree | snapshot
2021-04-26 Artem ZhmurovClang-11 fixes for applied forces commit | commitdiff | tree | snapshot
2021-04-26 Paul BauerFix incorrect handling of single residue chains commit | commitdiff | tree | snapshot
2021-04-23 Berk HessSpecialize jacobi() for 3 dimensions commit | commitdiff | tree | snapshot
2021-04-23 Artem ZhmurovMake SETTLE setup code platform-agnostic commit | commitdiff | tree | snapshot
2021-04-23 Artem ZhmurovApply clang-11 fixes for fileio commit | commitdiff | tree | snapshot
2021-04-23 Andrey AlekseenkoFix beningn GCC 10.2 Wstringop-truncation warnings commit | commitdiff | tree | snapshot
2021-04-23 Artem ZhmurovClang-11 fixes for PME and FFT commit | commitdiff | tree | snapshot
2021-04-23 Pascal MerzPrepare virial calculation for legacy md-vv pressure... commit | commitdiff | tree | snapshot
2021-04-22 Andrey AlekseenkoFix buffer overrun when invalid value passed to numPbcD... commit | commitdiff | tree | snapshot
2021-04-22 Artem ZhmurovMake LINCS setup code platform-agnostic commit | commitdiff | tree | snapshot
2021-04-22 Mark AbrahamImprove UpdateGroups testing infra commit | commitdiff | tree | snapshot
2021-04-22 Paul BauerFixes from clang-tidy-11 for signal handling commit | commitdiff | tree | snapshot
2021-04-22 Joe JordanVectors in history_t commit | commitdiff | tree | snapshot
2021-04-22 Paul BauerFix MSVC build commit | commitdiff | tree | snapshot
2021-04-22 Szilárd PállFix doxygen of the SYCL atomicFetchAdd commit | commitdiff | tree | snapshot
2021-04-22 Paul BauerFix build with gcc-11 commit | commitdiff | tree | snapshot
2021-04-22 Mark AbrahamMore renaming for UpdateGroups commit | commitdiff | tree | snapshot
2021-04-21 ejjordanFinish removing t_mdatoms from update module commit | commitdiff | tree | snapshot
2021-04-21 Szilárd PállRemove isnormal() check around the atomic increment commit | commitdiff | tree | snapshot
2021-04-21 Joe JordanMostly remove t_mdatoms from update signatures commit | commitdiff | tree | snapshot
2021-04-21 Joe Jordanclang-tidy-11 fixes for gmxpreprocess commit | commitdiff | tree | snapshot
2021-04-21 Pascal MerzIntroduce TimeStep and Offset strong types commit | commitdiff | tree | snapshot
2021-04-21 Szilárd PállFix nbnxm hipSYCL kernels 64-wide exec on AMD commit | commitdiff | tree | snapshot
2021-04-21 Mark AbrahamFix doxygen for MessageStringCollector commit | commitdiff | tree | snapshot
2021-04-21 Mark AbrahamLet LoggerTestHelper write cleaner tests commit | commitdiff | tree | snapshot
2021-04-21 ejjordanUse index instead of pointer in t_mde_delta_h_coll commit | commitdiff | tree | snapshot
2021-04-21 Mark AbrahamRemove uses of std::bind commit | commitdiff | tree | snapshot
2021-04-21 Mark AbrahamUse consistent naming for update groups commit | commitdiff | tree | snapshot
2021-04-21 Joe JordanRename some enum names in ModuleMultiThread commit | commitdiff | tree | snapshot
2021-04-20 Joe Jordanclang-tidy-11 fixes for topology, gpu_utils, and selection commit | commitdiff | tree | snapshot
2021-04-20 Paul BauerFix clang-format commit | commitdiff | tree | snapshot
2021-04-20 Paul BauerFix possible UB in ArrayRef construction commit | commitdiff | tree | snapshot
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads commit | commitdiff | tree | snapshot
2021-04-20 Joe Jordanclang-tidy-11 fixes for utils commit | commitdiff | tree | snapshot
2021-04-20 ejjordanclang-tidy-11 fixes mdrun tests commit | commitdiff | tree | snapshot
2021-04-20 ejjordanclang-tidy-11 fixes for listed_forces commit | commitdiff | tree | snapshot
2021-04-20 ejjordanApply clang-tidy11 to gmxana files with no dependencies commit | commitdiff | tree | snapshot
2021-04-19 ejjordanclang-tidy-11 fixes for options commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff