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alexxy/gromacs.git
2020-01-30 Artem ZhmurovCleaning booleans in NBNXM in OpenCL build commit | commitdiff | tree | snapshot
2020-01-29 Artem ZhmurovReorganize GPU stuff initialization in PME-only ranks commit | commitdiff | tree | snapshot
2020-01-29 Magnus LundborgMore SIMD preparations in the FE calculations commit | commitdiff | tree | snapshot
2020-01-29 Paul BauerAdd replacement for symbol table commit | commitdiff | tree | snapshot
2020-01-29 Szilárd PállSmall improvement in OpenCL error handling commit | commitdiff | tree | snapshot
2020-01-29 Artem ZhmurovSplit and move the checkDeviceBuffer(...) function... commit | commitdiff | tree | snapshot
2020-01-29 Artem ZhmurovRemove the rest of the device coordinates management... commit | commitdiff | tree | snapshot
2020-01-29 Artem ZhmurovRename UpdateConstraintsCuda to UpdateConstraintsGpu commit | commitdiff | tree | snapshot
2020-01-27 Mark AbrahamUpdate some nbnxm kernel constants to constexpr commit | commitdiff | tree | snapshot
2020-01-27 Mark AbrahamRemove element-size member fields commit | commitdiff | tree | snapshot
2020-01-27 Mark AbrahamMake NbnxnGpu class with constructor commit | commitdiff | tree | snapshot
2020-01-24 Paul BauerAdd cool quotes commit | commitdiff | tree | snapshot
2020-01-24 Szilárd PállAdd target for offline PME OpenCL compilation commit | commitdiff | tree | snapshot
2020-01-24 Magnus LundborgRemoved SC RPower 48 from FEP kernel commit | commitdiff | tree | snapshot
2020-01-23 Magnus LundborgMinor cosmetic improvements in AWH commit | commitdiff | tree | snapshot
2020-01-22 Berk HessMinor cleanup in constraint and shellfc code commit | commitdiff | tree | snapshot
2020-01-20 Artem ZhmurovRename SettleCuda to SettleGpu commit | commitdiff | tree | snapshot
2020-01-20 Berk HessUse ArrayRef(WithPadding) in constraint code commit | commitdiff | tree | snapshot
2020-01-20 Artem ZhmurovRename LincsCuda into LincsGpu commit | commitdiff | tree | snapshot
2020-01-20 Artem ZhmurovRename LeapFrogCuda to LeapFrogGpu commit | commitdiff | tree | snapshot
2020-01-20 Berk HessUse std::vector in shellfc commit | commitdiff | tree | snapshot
2020-01-19 Szilárd PállTemplate X buffer ops on setFillerCoords commit | commitdiff | tree | snapshot
2020-01-17 Mark AbrahamRegularize nbnxm module doxygen commit | commitdiff | tree | snapshot
2020-01-16 Mark AbrahamMake nbnxm headers more self-contained commit | commitdiff | tree | snapshot
2020-01-15 Paul BauerUpdate nonstd::optional commit | commitdiff | tree | snapshot
2020-01-15 Paul BauerAllow access to optional outside libgromacs commit | commitdiff | tree | snapshot
2020-01-15 Christoph Junghanscmake: install pbc.h for GMX_INSTALL_LEGACY_API commit | commitdiff | tree | snapshot
2020-01-14 Paul BauerUse utf-8 for python file reading commit | commitdiff | tree | snapshot
2020-01-13 Berk HessAvoid unnecessary exclusion generation in DD commit | commitdiff | tree | snapshot
2020-01-10 Paul BauerFix compiler warnings on windows commit | commitdiff | tree | snapshot
2020-01-09 Artem ZhmurovChange signature of the setPbc(...) method in update... commit | commitdiff | tree | snapshot
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class commit | commitdiff | tree | snapshot
2020-01-09 M. Eric IrrgangUse enum for gmxapi.testsupport fixture options. commit | commitdiff | tree | snapshot
2020-01-09 Mark AbrahamClean up ewald module internals commit | commitdiff | tree | snapshot
2020-01-09 M. Eric IrrgangFurther consolidate gmxapi.testsupport. commit | commitdiff | tree | snapshot
2020-01-09 M. Eric IrrgangUpdate gmxapi Python package version and versioning... commit | commitdiff | tree | snapshot
2020-01-09 Alan GrayFix memory address bug in GPU PME coordinate address... commit | commitdiff | tree | snapshot
2020-01-09 Mark AbrahamSplit lines with many copyright years commit | commitdiff | tree | snapshot
2020-01-07 M. Eric IrrgangRemove stray "to do". commit | commitdiff | tree | snapshot
2020-01-07 Paul BauerMerge branch origin/release-2020 into master commit | commitdiff | tree | snapshot
2020-01-07 Erik LindahlWrite TPR body as opaque XDR data in big-endian format commit | commitdiff | tree | snapshot
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master commit | commitdiff | tree | snapshot
2020-01-03 M. Eric IrrgangRemove transitional links for online gmxapi Python... commit | commitdiff | tree | snapshot
2020-01-02 M. Eric IrrgangAdd Flake8 linting to gmxapi tests. commit | commitdiff | tree | snapshot
2020-01-02 M. Eric IrrgangUse `todo` Sphinx directive more. commit | commitdiff | tree | snapshot
2020-01-01 Paul BauerPrepare for 2020.1 commit | commitdiff | tree | snapshot
2020-01-01 Paul BauerGROMACS 2020 release commit | commitdiff | tree | snapshot
2020-01-01 Paul BauerRevert "GROMACS 2020 release" commit | commitdiff | tree | snapshot
2020-01-01 Paul BauerGROMACS 2020 release commit | commitdiff | tree | snapshot
2020-01-01 Erik LindahlAdd link to paper explaining GROMOS twin-range issues. commit | commitdiff | tree | snapshot
2019-12-31 Mark AbrahamAvoid 386 O3 codegen bug even more commit | commitdiff | tree | snapshot
2019-12-31 Artem ZhmurovInform user why forcing GPU update is not possible commit | commitdiff | tree | snapshot
2019-12-31 Artem ZhmurovAdd description of GMX_FORCE_UPDATE_DEFAULT_GPU dev... commit | commitdiff | tree | snapshot
2019-12-31 Artem ZhmurovFix gpuupdate matrix commit | commitdiff | tree | snapshot
2019-12-30 Mark AbrahamTests that verify serializer behaviours commit | commitdiff | tree | snapshot
2019-12-30 Mark AbrahamRemove use of tuple in LINCS code for GPU implementation commit | commitdiff | tree | snapshot
2019-12-30 M. Eric IrrgangAdd tracking for a documented action item. commit | commitdiff | tree | snapshot
2019-12-30 M. Eric IrrgangLink some "to do"s in the dev manual. commit | commitdiff | tree | snapshot
2019-12-30 M. Eric IrrgangMake gmxapi.testsupport usable as a pytest plugin. commit | commitdiff | tree | snapshot
2019-12-30 Paul BauerFix build error with wrong name from cached cmake file commit | commitdiff | tree | snapshot
2019-12-29 Erik LindahlWrite TPR body as opaque XDR data in big-endian format commit | commitdiff | tree | snapshot
2019-12-28 Artem ZhmurovChange the behavior of the GPU update UI commit | commitdiff | tree | snapshot
2019-12-28 M. Eric IrrgangResolve CMake ambiguities for gmxapi Python package... commit | commitdiff | tree | snapshot
2019-12-28 Paul BauerChange releng to give information about Gitlab commit | commitdiff | tree | snapshot
2019-12-28 Paul BauerExtend information for GPU update commit | commitdiff | tree | snapshot
2019-12-28 Mark AbrahamRemove GMX_CYCLECOUNTERS commit | commitdiff | tree | snapshot
2019-12-28 Paul BauerExclude build-system files from CPack commit | commitdiff | tree | snapshot
2019-12-28 Mark AbrahamMerge "Merge origin/release-2019 into release-2020... commit | commitdiff | tree | snapshot
2019-12-28 Paul BauerRemove membed from features commit | commitdiff | tree | snapshot
2019-12-28 Paul BauerDeprecate support for Armv7 commit | commitdiff | tree | snapshot
2019-12-28 Mark AbrahamRemove support for ARMv7 commit | commitdiff | tree | snapshot
2019-12-28 Mark AbrahamStop testing ARMv7 commit | commitdiff | tree | snapshot
2019-12-27 Artem ZhmurovAdd a note to the log file when -update gpu was set... commit | commitdiff | tree | snapshot
2019-12-27 Paul BauerAdd copyright check and improve cache usage commit | commitdiff | tree | snapshot
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 commit | commitdiff | tree | snapshot
2019-12-27 Artem ZhmurovClean bad auto-format in decidegpuusage doxygen comments commit | commitdiff | tree | snapshot
2019-12-27 M. Eric IrrgangUpdate intersphinx configuration. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangLet GMX_DEVELOPER_BUILD trigger a "to do" list in the... commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangSet Sphinx default role. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangFix external web link. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangEnable Sphinx todo directive for GMX_DEVELOPER_BUILD. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangClean up Sphinx interpreted text in the default role. commit | commitdiff | tree | snapshot
2019-12-24 Christoph Junghanscmake: fix missing header for legacy api commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerAdd files for Gitlab CI commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerPrepare for GROMACS 2019.6 commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerGROMACS version 2019.5 commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerRevert "Fix that tests intended for multiple ranks... commit | commitdiff | tree | snapshot
2019-12-22 Berk HessUse ListOfLists for atom to constraint mapping commit | commitdiff | tree | snapshot
2019-12-22 Berk HessMove nr_nonperturbed out of t_ilist commit | commitdiff | tree | snapshot
2019-12-20 Alan GrayAdd user guide doc for GPU buffer ops and comms env... commit | commitdiff | tree | snapshot
2019-12-20 Paul BauerFurther updates to Gitlab CI commit | commitdiff | tree | snapshot
2019-12-20 Paul BauerFix wrong header in release notes commit | commitdiff | tree | snapshot
2019-12-20 Christian BlauRemove problematic output of gmx angle commit | commitdiff | tree | snapshot
2019-12-20 Paul BauerGROMACS 2020 release candidate commit | commitdiff | tree | snapshot
2019-12-20 Szilárd PállEnable buffer ops when GMX_GPU_DD_COMMS is set commit | commitdiff | tree | snapshot
2019-12-19 Paul BauerFix regressiontests failing with ctest commit | commitdiff | tree | snapshot
2019-12-19 Alan GrayRelease note for GPU direct communications commit | commitdiff | tree | snapshot
2019-12-19 Alan GrayFix PME tuning issue when PME-PP communications are... commit | commitdiff | tree | snapshot
2019-12-19 Szilárd PállPP-PME load balancing improvements commit | commitdiff | tree | snapshot
2019-12-19 ejjordanChange some domdec data members to RVec or IVec commit | commitdiff | tree | snapshot
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