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alexxy/gromacs.git
2020-05-15 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation commit | commitdiff | tree | snapshot
2020-05-14 M. Eric IrrgangUpdate docker image build scripts for master branch. commit | commitdiff | tree | snapshot
2020-05-14 M. Eric IrrgangMake sure CI script can call /bin/env python` commit | commitdiff | tree | snapshot
2020-05-14 M. Eric IrrgangMinor clean up to buildall.sh commit | commitdiff | tree | snapshot
2020-05-14 M. Eric IrrgangAllow llvm option already used in buildall.sh script. commit | commitdiff | tree | snapshot
2020-05-14 M. Eric IrrgangReduce console log output from sample_restraint tests. commit | commitdiff | tree | snapshot
2020-05-14 Berk HessExtract postProcessForceWithShiftForces() commit | commitdiff | tree | snapshot
2020-05-14 Paul BauerAvoid CI errors from overloading resources commit | commitdiff | tree | snapshot
2020-05-13 Paul BauerFix check source error parsing commit | commitdiff | tree | snapshot
2020-05-12 M. Eric IrrgangRefine usage of *job:tags* parameter. commit | commitdiff | tree | snapshot
2020-05-12 Berk HessExtract helper force buffers to a separate class commit | commitdiff | tree | snapshot
2020-05-12 Berk HessRefactor virtual site interface commit | commitdiff | tree | snapshot
2020-05-12 Paul BauerFix archive build commit | commitdiff | tree | snapshot
2020-05-11 Artem ZhmurovRemove the duplicating note from the release notes commit | commitdiff | tree | snapshot
2020-05-11 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation commit | commitdiff | tree | snapshot
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master commit | commitdiff | tree | snapshot
2020-05-05 Paul BauerFix copyright commit | commitdiff | tree | snapshot
2020-05-05 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation commit | commitdiff | tree | snapshot
2020-05-04 Paul BauerFix cmake error: Mixed styles of target_link_libraries... commit | commitdiff | tree | snapshot
2020-05-04 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation commit | commitdiff | tree | snapshot
2020-05-04 Paul BauerUse test conversion script from source commit | commitdiff | tree | snapshot
2020-05-04 Paul BauerFix incorrect header and linter scripts commit | commitdiff | tree | snapshot
2020-05-04 Pascal MerzCatch errors in v-rescale and Parrinello-Rahman checkpo... commit | commitdiff | tree | snapshot
2020-05-01 Paul BauerPrepare for 2020.3 commit | commitdiff | tree | snapshot
2020-04-30 Gilles Gouaillardetcmake: declare (and hence initialize) GMX_USE_SIMD_KERN... 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 Mark AbrahamRemove bundled FindCUDA.cmake 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
2020-04-30 M. Eric IrrgangUpdate header sorting. commit | commitdiff | tree | snapshot
2020-04-30 M. Eric IrrgangRequire C++17 standard and STL features. commit | commitdiff | tree | snapshot
2020-04-30 ejjordanAdd EOF newlines to eliminate compiler warnings commit | commitdiff | tree | snapshot
2020-04-30 ejjordanRemove cmake logic that is outdated by requiring cmake... commit | commitdiff | tree | snapshot
2020-04-29 Mark AbrahamUpdate cmake version for docs container commit | commitdiff | tree | snapshot
2020-04-29 Paul BauerPrint base commit for source linters 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 M. Eric IrrgangApply more granular CTest time-out policy. 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
2020-04-29 Mark AbrahamFixed several clang-tidy issues commit | commitdiff | tree | snapshot
2020-04-28 ejjordanAddress review comments commit | commitdiff | tree | snapshot
2020-04-28 ejjordanSimplify calc_listed signature commit | commitdiff | tree | snapshot
2020-04-28 ejjordanFix issues with check-source 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 M. Eric IrrgangResolve static analyzer warnings from google tests. commit | commitdiff | tree | snapshot
2020-04-27 M. Eric IrrgangAvoid temporary strings. commit | commitdiff | tree | snapshot
2020-04-27 Artem ZhmurovMove PBC setup out of the launchKernel(...) in GPU... commit | commitdiff | tree | snapshot
2020-04-27 Paul BauerFix segmentation fault in do_dssp commit | commitdiff | tree | snapshot
2020-04-27 Mark AbrahamImproved some logic in do_force 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
2020-04-25 M. Eric IrrgangNote CUDA builds in job names. commit | commitdiff | tree | snapshot
2020-04-24 M. Eric IrrgangUpdate bundled pybind. commit | commitdiff | tree | snapshot
2020-04-24 Paul BauerFix parallel testing commit | commitdiff | tree | snapshot
2020-04-24 M. Eric IrrgangOnly set GMX_PYTHON_PACKAGE=ON where needed. commit | commitdiff | tree | snapshot
2020-04-23 Paul BauerUse branch point also for format and copyright check commit | commitdiff | tree | snapshot
2020-04-23 Mark AbrahamMark HWLOC cmake cache variable as advanced commit | commitdiff | tree | snapshot
2020-04-23 Pascal MerzMake boxdeformation independent of t_commrec commit | commitdiff | tree | snapshot
2020-04-23 M. Eric IrrgangUse CMake 3.12+ facilities for detecting Python. commit | commitdiff | tree | snapshot
2020-04-23 Paul BauerMake clang-tidy script more robust commit | commitdiff | tree | snapshot
2020-04-23 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 Pascal MerzMake init_dires independent of t_commrec commit | commitdiff | tree | snapshot
2020-04-22 Paul BauerCopy of CI from master to 2020 commit | commitdiff | tree | snapshot
2020-04-21 Mark AbrahamFix warnings with clang 9 commit | commitdiff | tree | snapshot
2020-04-20 Artem ZhmurovFix the number of steps check when checkpoint is loaded commit | commitdiff | tree | snapshot
2020-04-20 Paul BauerMake tests check code for warnings same as the main... commit | commitdiff | tree | snapshot
2020-04-17 Pascal MerzMake global topology const in ISimulator commit | commitdiff | tree | snapshot
2020-04-17 Christian Blauproposed fix for redmine bug #3403 commit | commitdiff | tree | snapshot
2020-04-17 Paul BauerFix check source not parsing errors and warnings correctly commit | commitdiff | tree | snapshot
2020-04-16 Artem ZhmurovNew cool quote commit | commitdiff | tree | snapshot
2020-04-16 Mark AbrahamIntroduce GMX_USE_SIMD_KERNELS cmake option commit | commitdiff | tree | snapshot
2020-04-16 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation commit | commitdiff | tree | snapshot
2020-04-16 Paul BauerUse GPU resources for build types again commit | commitdiff | tree | snapshot
2020-04-15 M. Eric IrrgangChange default CMake version to 3.13.0 for CI images. commit | commitdiff | tree | snapshot
2020-04-14 Pascal MerzMake bonded interaction checking more robust (modular... commit | commitdiff | tree | snapshot
2020-04-14 Pascal MerzReintroduce LJ Ewald tables commit | commitdiff | tree | snapshot
2020-04-14 M. Eric IrrgangRequire CMake >=3.13. commit | commitdiff | tree | snapshot
2020-04-14 Mark AbrahamFix more clang warnings commit | commitdiff | tree | snapshot
2020-04-14 M. Eric IrrgangFix invalid gitlab-ci.yml commit | commitdiff | tree | snapshot
2020-04-13 Paul BauerThe ugliest hack to fix rebase issues ever commit | commitdiff | tree | snapshot
2020-04-13 Paul BauerFix clang-tidy script and code issue commit | commitdiff | tree | snapshot
2020-04-13 Mark AbrahamFix warnings for no-mpi build commit | commitdiff | tree | snapshot
2020-04-12 Szilárd PállFix clang 10 -Wimplicit-int-float-conversion warnings commit | commitdiff | tree | snapshot
2020-04-12 Mark AbrahamRemoved unused variable in force table generation commit | commitdiff | tree | snapshot
2020-04-12 Mark AbrahamFinish removing ENCAD shifts and table generation commit | commitdiff | tree | snapshot
2020-04-12 Mark AbrahamUpdate to clang-tidy-9 commit | commitdiff | tree | snapshot
2020-04-11 Paul BauerAdd Image for GCC 7 and AMD OpenCL commit | commitdiff | tree | snapshot
2020-04-10 Christoph Junghanscmake: fix exported target commit | commitdiff | tree | snapshot
2020-04-09 Paul BauerAdd clang-tidy script commit | commitdiff | tree | snapshot
2020-04-09 M. Eric IrrgangAllow useful CI to run in forks commit | commitdiff | tree | snapshot
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