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alexxy/gromacs.git
2019-11-27 Mark AbrahamDisable GPU PME-PP communication with mdrun -pmefft cpu commit | commitdiff | tree | snapshot
2019-11-27 Artem ZhmurovAdd method for coordinates scaling into GPU update... commit | commitdiff | tree | snapshot
2019-11-27 M. Eric IrrgangAdd gmxapi_extension tests to 'tests' target. commit | commitdiff | tree | snapshot
2019-11-27 Alan GrayEvent-based Dependency for GPU Force Halo Exchange commit | commitdiff | tree | snapshot
2019-11-26 Mark AbrahamImprove handling of task-assignment exceptions commit | commitdiff | tree | snapshot
2019-11-26 Mark AbrahamRelax tolerance for bd tests commit | commitdiff | tree | snapshot
2019-11-26 Alan GrayBug fix for nonlocal D2H coordinate transfer synchroniz... commit | commitdiff | tree | snapshot
2019-11-26 Paul BauerFix unused variable warning in ewald code commit | commitdiff | tree | snapshot
2019-11-25 Alan GrayFix race condition in GPU X halo exchange with GPU... commit | commitdiff | tree | snapshot
2019-11-25 Artem ZhmurovUse same matrix for Parrinello-Rahman and Berendsen... commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauRead mrc density map format with all endianesses. commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauCheck mrc header for sanity commit | commitdiff | tree | snapshot
2019-11-25 Artem ZhmurovFix index mapping issue with LINCS on GPU commit | commitdiff | tree | snapshot
2019-11-24 Christian BlauInMemorySerializer with endianess swap. commit | commitdiff | tree | snapshot
2019-11-23 Artem ZhmurovNew cool quote commit | commitdiff | tree | snapshot
2019-11-21 Mark AbrahamNew cool quote commit | commitdiff | tree | snapshot
2019-11-20 Vedran MiletićFix building on Solaris with GCC commit | commitdiff | tree | snapshot
2019-11-20 Artem ZhmurovAdd D2H copies for the checkpointing commit | commitdiff | tree | snapshot
2019-11-20 Artem ZhmurovMove the copy of the velocities for the output closer... commit | commitdiff | tree | snapshot
2019-11-20 Berk HessQuiet pdb2gmx and use gmx_fatal commit | commitdiff | tree | snapshot
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 commit | commitdiff | tree | snapshot
2019-11-20 Alan GrayMove pmePpCommGpu reset outside do_md commit | commitdiff | tree | snapshot
2019-11-20 M. Eric IrrgangRemove stub content from gmxapi docs. commit | commitdiff | tree | snapshot
2019-11-20 Mark AbrahamQuiet uninitialized variable warning with clang 9 commit | commitdiff | tree | snapshot
2019-11-19 Mark AbrahamUpdated release notes for CODATA update commit | commitdiff | tree | snapshot
2019-11-19 Berk HessFix bonded atom communication performance commit | commitdiff | tree | snapshot
2019-11-19 Artem ZhmurovFix icc-19 warning in nightly matrix commit | commitdiff | tree | snapshot
2019-11-18 Berk HessFix intermolecular interactions with DD commit | commitdiff | tree | snapshot
2019-11-17 Szilárd PállTrigger ocl_nbnxm_kernels target with clang-tidy commit | commitdiff | tree | snapshot
2019-11-17 M. Eric IrrgangRemove extraneous file. commit | commitdiff | tree | snapshot
2019-11-17 M. Eric IrrgangAdd transitional links for online gmxapi Python package... commit | commitdiff | tree | snapshot
2019-11-17 M. Eric IrrgangImprove gmxapi Dockerfiles. commit | commitdiff | tree | snapshot
2019-11-17 Szilárd PállFix clang-tidy 8 warnings in OpenCL nbnxm kernels commit | commitdiff | tree | snapshot
2019-11-16 Mark AbrahamRelaxed listed forces test tolerances commit | commitdiff | tree | snapshot
2019-11-16 Mark AbrahamStop testing that hwloc cache-size detection works... commit | commitdiff | tree | snapshot
2019-11-15 Alan GrayReplace blocking with non-blocking receive in GPU PME... commit | commitdiff | tree | snapshot
2019-11-14 Paul BauerFix formatting error commit | commitdiff | tree | snapshot
2019-11-13 Paul BauerAdd build to run clang-format update on Jenkins commit | commitdiff | tree | snapshot
2019-11-13 Erik LindahlUpdated physical constants to CODATA 2018 commit | commitdiff | tree | snapshot
2019-11-12 Paul BauerIndicate which versions are no longer supported commit | commitdiff | tree | snapshot
2019-11-11 M. Eric IrrgangAchieve gmxapi fr15. commit | commitdiff | tree | snapshot
2019-11-11 M. Eric IrrgangUpdates to gmxapi FR15 acceptance test. commit | commitdiff | tree | snapshot
2019-11-11 M. Eric IrrgangUpdate notes and tests regarding gmxapi acceptance... commit | commitdiff | tree | snapshot
2019-11-09 Alan GrayModernize naming in GPU buffer ops kernels commit | commitdiff | tree | snapshot
2019-11-09 ejjordanFix mdp parameter handling in mdrun tests commit | commitdiff | tree | snapshot
2019-11-08 ejjordanFix 2 broken NOLINT's from clang-format change commit | commitdiff | tree | snapshot
2019-11-08 M. Eric IrrgangFix bug introduced by clang-format reformat. commit | commitdiff | tree | snapshot
2019-11-07 Paul BauerApply clang-format to source tree commit | commitdiff | tree | snapshot
2019-11-07 Berk HessFix .gro large box writing commit | commitdiff | tree | snapshot
2019-11-07 Christian BlauStochastic dynamics - document that nsttcouple is ignored commit | commitdiff | tree | snapshot
2019-11-06 Berk HessDeprecated sc-r-power=48 commit | commitdiff | tree | snapshot
2019-11-06 Erik LindahlWork around broken Apple compilers in Mac OS 10.15 commit | commitdiff | tree | snapshot
2019-11-06 Erik LindahlWork around broken Apple compilers in Mac OS 10.15 commit | commitdiff | tree | snapshot
2019-11-05 M. Eric IrrgangUpdate googletest location in COPYING. commit | commitdiff | tree | snapshot
2019-11-04 Paul BauerAdd build for clang-format commit | commitdiff | tree | snapshot
2019-11-04 Paul BauerSplit up source code formatting scripts commit | commitdiff | tree | snapshot
2019-11-04 M. Eric IrrgangUpdate gmxapi Python documentation instructions. commit | commitdiff | tree | snapshot
2019-11-04 Teemu MurtolaUpdate clang-format config commit | commitdiff | tree | snapshot
2019-11-03 M. Eric IrrgangUpdate Sphinx link. commit | commitdiff | tree | snapshot
2019-11-03 M. Eric IrrgangFix typos. commit | commitdiff | tree | snapshot
2019-11-03 Szilárd PállImprove SimulationWorkload doxygen commit | commitdiff | tree | snapshot
2019-11-01 M. Eric IrrgangFix documentation typo. commit | commitdiff | tree | snapshot
2019-11-01 Paul BauerSecond beta release of GROMACS 2020 commit | commitdiff | tree | snapshot
2019-11-01 Christian BlauFix cross-correlation calculation instability commit | commitdiff | tree | snapshot
2019-11-01 Szilárd PállRename reference checksum generating target commit | commitdiff | tree | snapshot
2019-11-01 Szilárd PállUse "-" in checksum-related version suffix commit | commitdiff | tree | snapshot
2019-11-01 Szilárd PállImprove workload data structures' docs commit | commitdiff | tree | snapshot
2019-11-01 Alan GrayRemove energy step dependence on GPU force buffer ops commit | commitdiff | tree | snapshot
2019-11-01 Berk HessAdd haveEwaldSurfaceContribution to SimulationWorkload commit | commitdiff | tree | snapshot
2019-11-01 M. Eric IrrgangNormalize sample_restraint target names. commit | commitdiff | tree | snapshot
2019-11-01 Paul BauerPrepare for 2020 beta 2 commit | commitdiff | tree | snapshot
2019-11-01 Paul BauerAdd validation of tarball builds commit | commitdiff | tree | snapshot
2019-10-31 M. Eric IrrgangAllow validation of the generated CMake toolchain file. commit | commitdiff | tree | snapshot
2019-10-31 Paul BauerUse type of explicit size in inmemoryserializer commit | commitdiff | tree | snapshot
2019-10-31 M. Eric IrrgangImprove uniformity of OS X CMake configuration. commit | commitdiff | tree | snapshot
2019-10-31 M. Eric IrrgangRestore CMake convenience targets for sample_restraint. commit | commitdiff | tree | snapshot
2019-10-31 Alan GrayRemove dead code for nbnxm H2D coordinate copy event commit | commitdiff | tree | snapshot
2019-10-31 Alan GrayBug fix for event passed to GPU comm features commit | commitdiff | tree | snapshot
2019-10-31 Pascal MerzCheck for contradicting environment variables (modular... commit | commitdiff | tree | snapshot
2019-10-31 Mark AbrahamTests for valid periodic actions commit | commitdiff | tree | snapshot
2019-10-31 M. Eric IrrgangDeduplicate gmxapi documentation. commit | commitdiff | tree | snapshot
2019-10-31 Artem ZhmurovRemove excessive H2D and D2H copies of forces when... commit | commitdiff | tree | snapshot
2019-10-31 Berk HessUpdate GPU update restrictions commit | commitdiff | tree | snapshot
2019-10-30 Pascal MerzFix doxygen for modular simulator commit | commitdiff | tree | snapshot
2019-10-30 Jonathan VincentUpdate PME CUDA spread/gather commit | commitdiff | tree | snapshot
2019-10-30 Pascal MerzFix modular simulator documentation commit | commitdiff | tree | snapshot
2019-10-30 Berk HessFix walls with GPU update commit | commitdiff | tree | snapshot
2019-10-29 Pascal MerzFix compatibility check of modular simulator commit | commitdiff | tree | snapshot
2019-10-29 M. Eric IrrgangDisable its tests when sample_restraint is not the... commit | commitdiff | tree | snapshot
2019-10-29 M. Eric IrrgangDecrease the maximum allowed Python version for gmxapi. commit | commitdiff | tree | snapshot
2019-10-29 Artem ZhmurovDisable GPU update when coordinates swapping is enabled commit | commitdiff | tree | snapshot
2019-10-29 Berk HessAdd mdrun GPU update documentation commit | commitdiff | tree | snapshot
2019-10-29 Berk HessFix Ewald dipole correction with GPU update commit | commitdiff | tree | snapshot
2019-10-29 Berk HessDisable pressure coupling with GPU update commit | commitdiff | tree | snapshot
2019-10-29 Paul BauerMerge "Merge branch 'release-2019' into master" commit | commitdiff | tree | snapshot
2019-10-29 Paul BauerMerge branch 'release-2019' into master commit | commitdiff | tree | snapshot
2019-10-29 Alan GrayExplicitly destroy PME-PP GPU communication object commit | commitdiff | tree | snapshot
2019-10-29 Artem ZhmurovSwitch the GPU buffer ops on when update is on GPU commit | commitdiff | tree | snapshot
2019-10-28 Artem ZhmurovFix missing coordinate D2H copy with GPU update and... commit | commitdiff | tree | snapshot
2019-10-28 Artem ZhmurovAdd haveCpuLocalForces flag to DomainLifetimeWorkload commit | commitdiff | tree | snapshot
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