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Add TNG to trjconv doc and more details about TNG selections.
[alexxy/gromacs.git] / src / gromacs / domdec /
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-10-30 Andrey AlekseenkoSet up event consumption counter in DomDecMpiTests tree | commitdiff
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests tree | commitdiff
2021-10-26 Alan GrayInsert barrier after each GPU halo test tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-13 Andrey AlekseenkoFix clang-tidy complaints tree | commitdiff
2021-10-06 Alan GrayRework GPU halo and state propagator streams and depend... tree | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function tree | commitdiff
2021-09-24 Berk HessAlso use DD partitioning in serial tree | commitdiff
2021-09-23 Mark AbrahamUse ObservablesReducer for check of DD bonded interacti... tree | commitdiff
2021-09-16 Artem ZhmurovMiscellaneous doxygen fixes tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-02 Berk HessMinor clean-up and optimization in DD topology tree | commitdiff
2021-08-27 Gaurav GargDisable DLB if GPU direct communication Halo exchange... 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
2021-08-18 Mark AbrahamEnsure restart with update groups always works tree | commitdiff
2021-08-18 Berk HessFix mdrun -ddorder pp_pme tree | commitdiff
2021-08-16 Artem ZhmurovAdd common header to GpuEventSynchronizer tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-17 Mark AbrahamRework -Weverything tree | commitdiff
2021-06-09 Andrey AlekseenkoRemove some unused-but-set variables tree | commitdiff
2021-06-08 Mark AbrahamUnite the post-DD-partition update of the local topology tree | commitdiff
2021-06-07 Mark AbrahamAdd hasPerturbedChargeIn14Interaction to atomInfo bits tree | commitdiff
2021-06-07 Mark AbrahamMake LocalTopologyChecker class and hide implementation... tree | commitdiff
2021-06-04 Mark AbrahamConvert atomInfo to int64_t tree | commitdiff
2021-06-03 Mark AbrahamRemove useless charge-group work during repartitioning tree | commitdiff
2021-06-03 Mark AbrahamRemove preprocessor usage for atomInfo tree | commitdiff
2021-05-31 Mark AbrahamFinish breaking up domdec_topology.cpp tree | commitdiff
2021-05-31 Mark AbrahamMove total bonded count to LocalTopologyChecker tree | commitdiff
2021-05-31 Mark AbrahamSplit localtopology from domdec_topology tree | commitdiff
2021-05-31 Mark AbrahamPartial renaming of cginfo to atom info tree | commitdiff
2021-05-28 Mark AbrahamCompute global bonded interaction count from system... tree | commitdiff
2021-05-27 Mark AbrahamRemove orphaned code tree | commitdiff
2021-05-27 Mark AbrahamMove reverse topology code to its own translation unit tree | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu tree | commitdiff
2021-05-27 Mark AbrahamMove the code of what will later implement LocalTopolog... tree | commitdiff
2021-05-26 Dmitry MorozovMoved PME-only ranks check to domain decomposition... tree | commitdiff
2021-05-24 Paul BauerApply clang-tidy-11 fixes to CUDA files tree | commitdiff
2021-05-24 Berk HessFix incorrectly sized ga2la hash table tree | commitdiff
2021-05-21 Pascal MerzExpose DD distribution of free energy history tree | commitdiff
2021-05-19 Joe JordanClean up some headers in mdlib tree | commitdiff
2021-05-18 Joe JordanFix several doxygen errors tree | commitdiff
2021-05-17 Mark AbrahamRefactor gmx_reverse_top_t 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 Mark AbrahamBreak up dd_init_bondeds tree | commitdiff
2021-05-04 ejjordanRemove mdatoms from vsite tree | commitdiff
2021-05-04 ejjordanPreven extension of DDBondedChecking tree | commitdiff
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints tree | commitdiff
2021-05-04 Mark AbrahamRemove some use of charge groups from domdec tree | commitdiff
2021-05-03 Berk HessClean up DD bonded interaction assignment tree | commitdiff
2021-05-03 Mark AbrahamReplace bool with enum class in DomdecOptions tree | commitdiff
2021-05-03 Joe JordanArrayRef in pme tree | commitdiff
2021-04-22 Mark AbrahamMore renaming for UpdateGroups tree | commitdiff
2021-04-21 Mark AbrahamUse consistent naming for update groups tree | commitdiff
2021-04-20 Paul BauerFix possible UB in ArrayRef construction tree | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-04-13 Gaurav GargRemove thread-MPI limitation for GPU PP Halo exchange tree | commitdiff
2021-04-12 Joe JordanReplace defines with constexpr in ishift tree | commitdiff
2021-04-02 Paul BauerReplace gmx_mtop_ilistloop_all tree | commitdiff
2021-04-02 ejjordanMove domdec/partition into gmx namespace; minor cleanup tree | commitdiff
2021-03-30 Mark AbrahamMove responsibility for checking bondeds in reverse... tree | commitdiff
2021-03-29 Joe JordanMove nsgrid header/source from mdlib to domdec tree | commitdiff
2021-03-25 Joe JordanUse ArrayRef in signatures of constraints and some... tree | commitdiff
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio... tree | commitdiff
2021-03-23 ejjordanMore const ref in shellfc tree | commitdiff
2021-03-19 Paul BauerBulk change to const ref for mtop tree | commitdiff
2021-03-19 ejjordanUse ArrayRef in gmx_pme_send_parameters tree | commitdiff
2021-03-19 ejjordanUse const refs in atoms2md signature tree | commitdiff
2021-03-16 Joe JordanUse RVec and std::array in gmx_domdec_comm_t tree | commitdiff
2021-03-16 Joe JordanRemove conditional assignemnt of cell sizes from domdec... tree | commitdiff
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-12 Alan GrayMove responsibility for GPU force clearing to state... tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-02 Paul BauerModernize atom enums tree | commitdiff
2021-03-02 Paul BauerFix nightly clang-tidy build tree | commitdiff
2021-02-28 Joe JordanUse more const ref in domdec API tree | commitdiff
2021-02-26 Joe JordanOnly use const ref for mtop and inputrec in domdec tree | commitdiff
2021-02-24 Paul BauerRework state checkpoint enum handling tree | commitdiff
2021-02-23 Artem ZhmurovFix doxygen in domdec tree | commitdiff
2021-02-22 Mark AbrahamHide newly exposed domdec internals tree | commitdiff
2021-02-22 Joe JordanHold unique_ptr for interaction_const in forcerec tree | commitdiff
2021-02-22 Paul BauerRemove raw pointer to gmx_reverse_top tree | commitdiff
2021-02-22 Berk HessReduce use of gmx_domdec_t in domdec_topology.cpp tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-19 Berk HessClean up DD reverse topology options tree | commitdiff
2021-02-18 ejjordanUse array in gmx_domdec_zones_t tree | commitdiff
2021-02-18 Pascal MerzImplement velocity terms for virtual sites tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-12 Mark AbrahamImprove CUDA codegen flags tree | commitdiff
2021-02-11 Artem ZhmurovFix MPI build tree | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes tree | commitdiff
2021-02-07 Andrey AlekseenkoReplace custom implementations of GCD with std::gcd tree | commitdiff
2021-02-05 Paul BauerClean up domdec again after clang-tidy-11 fixes tree | commitdiff
2021-02-05 Paul BauerFix clang-tidy-11 for domdec and utility tree | commitdiff
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