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alexxy/gromacs.git
2019-12-03 Paul BauerRevert "Enable GPU update with DD when GPU comm feature... commit | commitdiff | tree | snapshot
2019-12-03 Paul BauerFix nightly build by correctly defining several commit | commitdiff | tree | snapshot
2019-12-03 Alan GrayEnable GPU update with DD when GPU comm features are... commit | commitdiff | tree | snapshot
2019-12-02 Paul BauerSet update to run on GPU by default if possible commit | commitdiff | tree | snapshot
2019-12-02 Jonathan VincentHeuristics for switching between CUDA spread/gather... commit | commitdiff | tree | snapshot
2019-12-02 Berk HessAdd check for coupled constraints for CUDA update commit | commitdiff | tree | snapshot
2019-12-02 Berk HessExtract LINCS CUDA helper functions commit | commitdiff | tree | snapshot
2019-12-02 Christian BlauRelax test tolerance for cross correlation measure... commit | commitdiff | tree | snapshot
2019-12-01 Paul BauerUse DOI for citing in reference manual section commit | commitdiff | tree | snapshot
2019-12-01 Mark AbrahamFurther improve taskassignment exception handling commit | commitdiff | tree | snapshot
2019-11-29 Berk HessMerge "Merge branch release-2019 into release-2020... commit | commitdiff | tree | snapshot
2019-11-29 Paul BauerFix unaligned access with AVX512 commit | commitdiff | tree | snapshot
2019-11-29 Paul BauerFix build error without thread or regular mpi commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovPrint OpenCL error info in case of failed assertion... commit | commitdiff | tree | snapshot
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovMake Leap-Frog CUDA kernel selection safer commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovRename some variables in GPU Update commit | commitdiff | tree | snapshot
2019-11-28 Paul BauerCheck for using correct hwloc headers and runtime commit | commitdiff | tree | snapshot
2019-11-28 Artem ZhmurovClear device force buffer if it was reallocated commit | commitdiff | tree | snapshot
2019-11-28 Berk HessUpdate documenation for NPT GPU update commit | commitdiff | tree | snapshot
2019-11-28 Artem ZhmurovFix pressure coupling with GPU update commit | commitdiff | tree | snapshot
2019-11-28 Paul BauerFix postsubmit commit | commitdiff | tree | snapshot
2019-11-28 Berk HessRemove assertion failure in AWH without initial stage commit | commitdiff | tree | snapshot
2019-11-28 Berk HessFix bug with GPU pressure scaling at non T-scaling... commit | commitdiff | tree | snapshot
2019-11-28 Christian BlauFix check-pointing for density guided simulations commit | commitdiff | tree | snapshot
2019-11-27 Artem ZhmurovCombine two booleans in md loop commit | commitdiff | tree | snapshot
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
2019-11-26 Berk HessFix issues with AWH with periodic pulling 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 Christian BlauFix duplicate CONNECT records in pdb files 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
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