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alexxy/gromacs.git
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
2020-04-22 Pascal MerzMake init_dires independent of t_commrec 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 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
2020-04-08 Mark AbrahamFixes for clang-tidy-9 commit | commitdiff | tree | snapshot
2020-04-08 Christoph Junghanscmake: add support of OSX in GMXRC.* commit | commitdiff | tree | snapshot
2020-04-08 M. Eric IrrgangExplicitly set UTF-8 encoding for gmxapi CLI interaction. commit | commitdiff | tree | snapshot
2020-04-07 Pascal MerzMerge force and shellFC elements commit | commitdiff | tree | snapshot
2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption commit | commitdiff | tree | snapshot
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier commit | commitdiff | tree | snapshot
2020-04-07 M. Eric IrrgangPrepare Python environments for GitLab CI pipeline. commit | commitdiff | tree | snapshot
2020-04-07 Pascal MerzMake global topology constant in energyOutput.printAnne... commit | commitdiff | tree | snapshot
2020-04-07 Pascal MerzMake global topology const in minimization commit | commitdiff | tree | snapshot
2020-04-06 Pascal MerzMake global topology constant in mdoutf commit | commitdiff | tree | snapshot
2020-04-06 Paul BauerAdd AMD image build, v2 commit | commitdiff | tree | snapshot
2020-04-06 Berk HessMove force buffer resizing to mdsetup commit | commitdiff | tree | snapshot
2020-04-06 Pascal MerzMake bonded interaction checking more robust (modular... commit | commitdiff | tree | snapshot
2020-04-03 M. Eric IrrgangImprove gmxapi Python package dependency resolution. commit | commitdiff | tree | snapshot
2020-04-03 M. Eric IrrgangPrune change-management.rst and update links. commit | commitdiff | tree | snapshot
2020-04-02 M. Eric IrrgangModernize some Python subprocess calls. commit | commitdiff | tree | snapshot
2020-04-01 M. Eric IrrgangAvoid accidentally initializing pyenv in CI images. commit | commitdiff | tree | snapshot
2020-03-31 M. Eric IrrgangPrepare Python environments for GitLab CI pipeline. commit | commitdiff | tree | snapshot
2020-03-31 M. Eric IrrgangUpdate scripts for all of the requested pre-commit... commit | commitdiff | tree | snapshot
2020-03-30 M. Eric IrrgangRequire Python 3.6. commit | commitdiff | tree | snapshot
2020-03-27 M. Eric IrrgangCompartmentalize hpccm build stages. commit | commitdiff | tree | snapshot
2020-03-27 M. Eric IrrgangBe friendlier w.r.t. linkchecker. commit | commitdiff | tree | snapshot
2020-03-25 M. Eric IrrgangMock hpccm import so infrastructure docs build easily. commit | commitdiff | tree | snapshot
2020-03-25 Artem ZhmurovMake use of the DeviceStreamManager commit | commitdiff | tree | snapshot
2020-03-23 Paul BauerFix release builds on Gitlab with regressiontests commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangExtract logic for when CI jobs execute. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangNormalize some more job names. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangSimplify archive.gitlab-ci.yml commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangRemove redundant jobs. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangFix duplicate variables parameter. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangAdd required Infrastructure for Gitlab merges commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangNormalize naming for gromacs build/testing jobs. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangRemove some unnecessary indirection in job definitions. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangConsolidate .use-clangX CI job mix-in. commit | commitdiff | tree | snapshot
2020-03-23 M. Eric IrrgangConsolidate .use-gccX CI job mix-in. commit | commitdiff | tree | snapshot
2020-03-23 Artem ZhmurovIntroduce DeviceStreamManager commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangAdopt CI job naming guidelines. commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangNormalize GitLab-CI *cache* parameter. commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMerge environment support into global.gitlab-ci.yml commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMove .build-template.yml definitions closer to point... commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMerge *-test-template.yml into testing-matrix.gitlab... commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMerge .test-runner-template.yml into testing-matrix... commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMerge .test-script-template.yml into testing-matrix... commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangMerge .regressiontest-template.yml into archive config. commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangConsolidate documentation templates. commit | commitdiff | tree | snapshot
2020-03-22 M. Eric IrrgangReorganize release templates. commit | commitdiff | tree | snapshot
2020-03-21 Paul BauerAdd Documentation build to script commit | commitdiff | tree | snapshot
2020-03-20 Artem ZhmurovAdd OpenCL error reporting to GPU region timer commit | commitdiff | tree | snapshot
2020-03-20 Berk HessRename class Grid to BiasGrid in AWH module commit | commitdiff | tree | snapshot
2020-03-20 Artem ZhmurovSmall fixes to the DeviceStream commit | commitdiff | tree | snapshot
2020-03-19 M. Eric IrrgangRemove confusing and duplicated variables assignment. commit | commitdiff | tree | snapshot
2020-03-19 M. Eric IrrgangConsolidate global mix-ins. commit | commitdiff | tree | snapshot
2020-03-19 M. Eric Irrgang[ci skip] Remove indirection for default tags parameter. commit | commitdiff | tree | snapshot
2020-03-19 M. Eric Irrgang[ci skip] Reorganize .gitlab-ci.yml commit | commitdiff | tree | snapshot
2020-03-19 Artem ZhmurovStore DeviceInformation inside the DeviceContext class commit | commitdiff | tree | snapshot
2020-03-19 Berk HessSimplify finish_update() commit | commitdiff | tree | snapshot
2020-03-19 Berk HessRemove at_start from t_graph commit | commitdiff | tree | snapshot
2020-03-19 Paul BauerAdd script to generate CI Docker files commit | commitdiff | tree | snapshot
2020-03-19 Artem ZhmurovPass DeviceContext instead of GPU runtime data when... commit | commitdiff | tree | snapshot
2020-03-18 Berk HessRemove use of graph in do_force() commit | commitdiff | tree | snapshot
2020-03-18 Berk HessUse WholeMoleculeTransform for orires and epsilon-surface commit | commitdiff | tree | snapshot
2020-03-18 Berk HessAdd WholeMoleculeTransform class commit | commitdiff | tree | snapshot
2020-03-18 M. Eric IrrgangDocument CI variable and remove unused template. commit | commitdiff | tree | snapshot
2020-03-18 Mark AbrahamFix unused variable in PME OpenCL kernel commit | commitdiff | tree | snapshot
2020-03-18 Mark AbrahamSimplify PME GPU constants commit | commitdiff | tree | snapshot
2020-03-18 M. Eric IrrgangDisable sphinx.ext.viewcode commit | commitdiff | tree | snapshot
2020-03-18 M. Eric IrrgangAdd stub Variables documentation to GitLab CI doc. commit | commitdiff | tree | snapshot
2020-03-18 Artem ZhmurovMake some doxygen errors more clear commit | commitdiff | tree | snapshot
2020-03-17 M. Eric IrrgangRemove duplicated YAML key. commit | commitdiff | tree | snapshot
2020-03-17 Berk HessConvert t_graph to C++ commit | commitdiff | tree | snapshot
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt4 commit | commitdiff | tree | snapshot
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