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alexxy/gromacs.git
2020-10-06 Paul BauerPrepare for GROMACS 2020.5 commit | commitdiff | tree | snapshot
2020-10-06 Paul BauerGROMACS version 2020.4 commit | commitdiff | tree | snapshot
2020-10-05 Paul BauerFix debug message location commit | commitdiff | tree | snapshot
2020-10-02 Paul BauerWork-around for RDRAND returning -1 on Ryzen commit | commitdiff | tree | snapshot
2020-10-02 Christian BlauFix FEP lambda interpolation for reruns commit | commitdiff | tree | snapshot
2020-10-01 Paul BauerFix post merge acceptance pipeline for release-2020 commit | commitdiff | tree | snapshot
2020-10-01 Christian BlauFix the FEP lambda interpolation commit | commitdiff | tree | snapshot
2020-09-30 Paul BauerUpdate CI on 2020 branch commit | commitdiff | tree | snapshot
2020-09-30 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state commit | commitdiff | tree | snapshot
2020-09-29 Artem ZhmurovDon't use fah_fsync commit | commitdiff | tree | snapshot
2020-09-28 Paul BauerChange download for regressiontest away from gerrit commit | commitdiff | tree | snapshot
2020-09-28 Mark AbrahamFix check for BitScanReverse64 commit | commitdiff | tree | snapshot
2020-09-28 Berk HessFix dispersion correction table generation commit | commitdiff | tree | snapshot
2020-09-25 Berk HessFix grompp group handling with frozen system commit | commitdiff | tree | snapshot
2020-09-17 Gilles Gouaillardethardware: only check RDTSCP on x86 platforms commit | commitdiff | tree | snapshot
2020-09-17 David van der... Add release notes commit | commitdiff | tree | snapshot
2020-09-16 Paul BauerBreak off some tests from mdrun tests commit | commitdiff | tree | snapshot
2020-09-15 Paul BauerFix missing include for MSVC build commit | commitdiff | tree | snapshot
2020-09-10 Gilles Gouaillardetfix check_assign_interactions_atom() commit | commitdiff | tree | snapshot
2020-09-03 Szilárd PállMove mixplaced release notes entry commit | commitdiff | tree | snapshot
2020-09-03 Alan GrayFix bug in Lincs GPU setup commit | commitdiff | tree | snapshot
2020-08-28 Carsten KutznerUpdated an outdated link commit | commitdiff | tree | snapshot
2020-08-26 Mark AbrahamPermit build with CUDA 11.0 commit | commitdiff | tree | snapshot
2020-08-08 Mark AbrahamFix typo in docs commit | commitdiff | tree | snapshot
2020-08-07 Christian BlauFixed the mis-fix commit | commitdiff | tree | snapshot
2020-07-31 Mark AbrahamRelease configs were using a wrong build type commit | commitdiff | tree | snapshot
2020-07-27 Paul BauerRevert "Change builds that use failing docker containers" commit | commitdiff | tree | snapshot
2020-07-15 Alexey ShvetsovAllow to compile template with gmx-lagacyapi enabled commit | commitdiff | tree | snapshot
2020-07-12 Christoph JunghansCMake: add OpenMP detection to exported target commit | commitdiff | tree | snapshot
2020-07-11 M. Eric IrrgangFix libgromacs CMake target install syntax. commit | commitdiff | tree | snapshot
2020-07-09 Paul BauerPrepare for GROMACS 2020.4 commit | commitdiff | tree | snapshot
2020-07-09 Paul BauerGROMACS version 2020.3 commit | commitdiff | tree | snapshot
2020-07-03 Kevin BoydFix segfault in gmx genrestr. commit | commitdiff | tree | snapshot
2020-07-01 Paul BauerChange builds that use failing docker containers commit | commitdiff | tree | snapshot
2020-06-26 Paul BauerMake DSSP default path configurable commit | commitdiff | tree | snapshot
2020-06-22 Berk HessFix tpxio function type update table commit | commitdiff | tree | snapshot
2020-06-16 Artem ZhmurovAdd missing end-of-line in the GPU update assignment... commit | commitdiff | tree | snapshot
2020-06-12 Paul BauerFix false initialization values in gmx hbond commit | commitdiff | tree | snapshot
2020-06-11 Paul BauerFix false initialization values in gmx hbond commit | commitdiff | tree | snapshot
2020-06-10 Paul BauerProper fix for gmx do_dssp commit | commitdiff | tree | snapshot
2020-06-05 Paul BauerFix segmentation fault when reading energy terms commit | commitdiff | tree | snapshot
2020-06-05 Artem ZhmurovMake a error message less confusing commit | commitdiff | tree | snapshot
2020-06-04 Artem ZhmurovUpdate the release notes commit | commitdiff | tree | snapshot
2020-06-04 Terry MahaffeyRemove the c++14 flag for CUDA builds on Windows. This... commit | commitdiff | tree | snapshot
2020-05-29 Paul BauerCorrect regular expression for clang-tidy.sh commit | commitdiff | tree | snapshot
2020-05-25 M. Eric IrrgangReduce console log output from sample_restraint tests. commit | commitdiff | tree | snapshot
2020-05-24 M. Eric IrrgangEnable MPI ensemble testing for gmxapi. commit | commitdiff | tree | snapshot
2020-05-23 Kevin BoydFix small typo in gmx 2020 release notes commit | commitdiff | tree | snapshot
2020-05-22 Paul BauerAvoid parsing of fatalerror.cpp as lint failure commit | commitdiff | tree | snapshot
2020-05-21 M. Eric IrrgangNormalize gmxapi related release-2020 job logic. commit | commitdiff | tree | snapshot
2020-05-11 Roland SchulzFix Clang Cuda flags commit | commitdiff | tree | snapshot
2020-05-11 Roland SchulzFix Clang CUDA for Clang>=9 commit | commitdiff | tree | snapshot
2020-05-07 Berk HessAvoid warning during PME tuning commit | commitdiff | tree | snapshot
2020-05-05 Paul BauerFix copyright commit | commitdiff | tree | snapshot
2020-05-04 Paul BauerFix cmake error: Mixed styles of target_link_libraries... commit | commitdiff | tree | snapshot
2020-05-01 Paul BauerPrepare for 2020.3 commit | commitdiff | tree | snapshot
2020-04-30 Paul BauerGROMACS version 2020.2 commit | commitdiff | tree | snapshot
2020-04-30 Paul BauerPrint base commit for source linters commit | commitdiff | tree | snapshot
2020-04-30 Paul BauerFix incorrect header and linter scripts commit | commitdiff | tree | snapshot
2020-04-30 Paul BauerDisallow combination of gcc > 9 and IBM_VSX commit | commitdiff | tree | snapshot
2020-04-30 Mark AbrahamFix compiler flag reporting commit | commitdiff | tree | snapshot
2020-04-29 Artem ZhmurovFix the number of steps check when checkpoint is loaded commit | commitdiff | tree | snapshot
2020-04-29 Paul BauerUse test conversion script from source commit | commitdiff | tree | snapshot
2020-04-29 Mark AbrahamBaseline commit commit | commitdiff | tree | snapshot
2020-04-28 Roland SchulzAdd clang WA commit | commitdiff | tree | snapshot
2020-04-28 Roland SchulzFix MSVC 2019 test failures commit | commitdiff | tree | snapshot
2020-04-27 Artem ZhmurovFix the removal of COM velocity in case of GPU update commit | commitdiff | tree | snapshot
2020-04-27 Paul BauerFix segmentation fault in do_dssp commit | commitdiff | tree | snapshot
2020-04-27 Paul BauerBuild python package for documentation builds commit | commitdiff | tree | snapshot
2020-04-27 Paul BauerFix warning for return type commit | commitdiff | tree | snapshot
2020-04-27 Paul BauerFix bug in source verification on Windows commit | commitdiff | tree | snapshot
2020-04-25 Mark AbrahamMove configuration of global headers commit | commitdiff | tree | snapshot
2020-04-25 Paul BauerFix copyright header commit | commitdiff | tree | snapshot
2020-04-25 Roland SchulzFix MSVC 2019 warnings commit | commitdiff | tree | snapshot
2020-04-25 Paul BauerUse branch point also for format and copyright check commit | commitdiff | tree | snapshot
2020-04-24 Paul BauerFix parallel testing commit | commitdiff | tree | snapshot
2020-04-23 Mark AbrahamFix warnings for no-mpi build commit | commitdiff | tree | snapshot
2020-04-22 Paul BauerCopy of CI from master to 2020 commit | commitdiff | tree | snapshot
2020-04-14 Pascal MerzReintroduce LJ Ewald tables commit | commitdiff | tree | snapshot
2020-04-08 Kevin BoydFix line overrun in log file commit | commitdiff | tree | snapshot
2020-04-03 Pascal MerzFix expanded ensemble on checkpoint restarts commit | commitdiff | tree | snapshot
2020-04-01 Mark AbrahamFix minor bug with tools time-unit conversions commit | commitdiff | tree | snapshot
2020-03-30 Mark AbrahamSet buffers appropriately so .xpm files can be read. commit | commitdiff | tree | snapshot
2020-03-22 Paul BauerFix release builds on Gitlab with regressiontests commit | commitdiff | tree | snapshot
2020-03-22 Paul BauerAdd Documentation build to script commit | commitdiff | tree | snapshot
2020-03-20 Paul BauerAdd script to generate CI Docker files commit | commitdiff | tree | snapshot
2020-03-19 Szilárd PállFix DLB initial state reporting commit | commitdiff | tree | snapshot
2020-03-19 Paul BauerAdd required Infrastructure for Gitlab merges commit | commitdiff | tree | snapshot
2020-03-18 Paul BauerFix image mixup for GItlab doc builds commit | commitdiff | tree | snapshot
2020-03-17 Berk HessDisable Ewald dipole correction without DD commit | commitdiff | tree | snapshot
2020-03-10 M. Eric IrrgangDistinguish Docker images for different release require... commit | commitdiff | tree | snapshot
2020-03-07 Christoph Junghanscmake: use libsuffix on gmxapi as well commit | commitdiff | tree | snapshot
2020-03-07 M. Eric IrrgangManage the list of image tags in Docker build script. commit | commitdiff | tree | snapshot
2020-03-07 Paul BauerAdd clang-tidy script commit | commitdiff | tree | snapshot
2020-03-04 Alan GrayFix seg fault caused by unintended GPU PME coordinate... commit | commitdiff | tree | snapshot
2020-03-03 Paul BauerPrepare for 2020.2 commit | commitdiff | tree | snapshot
2020-03-03 Paul BauerVersion 2020.1 commit | commitdiff | tree | snapshot
2020-03-03 Paul BauerAlways hash files when building from release tarball commit | commitdiff | tree | snapshot
2020-03-03 Alan GrayAllow PME coordinate send before H2D coordinate transfer commit | commitdiff | tree | snapshot
2020-03-02 Paul BauerAdd Cuda build to gitlab CI commit | commitdiff | tree | snapshot
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