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Remove unused thole polarization rfac parameter
[alexxy/gromacs.git] / src / gromacs / tools /
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-13 Mark AbrahamFix issues from downstream patches and suppressions tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-21 Eliane BriandReworked convert-tpr runtime extension tree | commitdiff
2021-05-28 Eliane BriandReworked convert-tpr runtime extension tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes tree | commitdiff
2021-05-05 Joe JordanApply clang-tidy11 to tools tree | commitdiff
2021-04-19 Artem ZhmurovMake XDR type into enum class tree | commitdiff
2021-04-02 Paul BauerMake FileOptionTypes enum class tree | commitdiff
2021-03-19 Paul BauerBulk change to const ref for mtop tree | commitdiff
2021-03-09 Joe JordanUse constexpr for physical constants and move them... tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-02 Paul BauerModernize atom enums tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups tree | commitdiff
2021-01-11 Mark AbrahamRemove mdrun-only build configuration tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-13 Joe JordanFix segfault in pull reading tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-09-17 David van der SpoelAdd release notes tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-13 Christian BlauRemove superfluous math utility functions tree | commitdiff
2020-07-15 Mark AbrahamDivide default communicator from DD communicators tree | commitdiff
2020-06-05 Paul BauerFix failing webpage build tree | commitdiff
2020-05-24 Kevin BoydClean up grompp memory leaks in rotation and pull struc... tree | commitdiff
2020-05-23 Paul BauerModernize convert-tpr tree | commitdiff
2020-05-23 Paul BauerAdd tests for tool help output writing tree | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2020-04-29 M. Eric IrrgangApply more granular CTest time-out policy. tree | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 tree | commitdiff
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier tree | commitdiff
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests tree | commitdiff
2020-03-05 Berk HessAdd InteractionDefinitions tree | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master tree | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 tree | commitdiff
2020-01-28 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class tree | commitdiff
2020-01-09 Mark AbrahamSplit lines with many copyright years tree | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 tree | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
2019-12-19 Berk HessRemove exclusions from t_topology tree | commitdiff
2019-12-16 Berk HessUse ListOfLists in gmx_mtop_t and gmx_localtop_t tree | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 tree | commitdiff
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 tree | commitdiff
2019-11-07 Paul BauerApply clang-format to source tree tree | commitdiff
2019-10-29 Paul BauerMerge "Merge branch 'release-2019' into master" tree | commitdiff
2019-10-29 Paul BauerMerge branch 'release-2019' into master tree | commitdiff
2019-10-11 Paul BauerAdd helper to reuse generated TPR files in testing tree | commitdiff
2019-10-01 Berk HessCompletely remove charge groups tree | commitdiff
2019-10-01 Mark AbrahamRemoved dependency on commrec of mdrun setup tree | commitdiff
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' tree | commitdiff
2019-09-24 Paul BauerMerge branch release-2019 into master tree | commitdiff
2019-09-19 Mark AbrahamFurther improve getDDGridSetup tree | commitdiff
2019-09-12 Mark AbrahamDisable report-methods end-to-end test tree | commitdiff
2019-09-11 Paul BauerRemove -sub option from trjconv tree | commitdiff
2019-09-10 Mark AbrahamUse more RAII semantics with t_commrec tree | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 tree | commitdiff
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix tree | commitdiff
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8 tree | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master tree | commitdiff
2019-07-17 Paul BauerMove methods out from trjconv tree | commitdiff
2019-07-03 Kevin BoydMove more tools out of gmxana tree | commitdiff
2019-06-19 Paul BauerSplit tpr header reading reading from tpr body tree | commitdiff
2019-06-18 Paul BauerFix gmx dump tree | commitdiff
2019-06-14 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
2019-05-03 Paul BauerReplace t_grps with std::vector tree | commitdiff
2019-04-17 Paul BauerEnable printing of known issues in commandline tree | commitdiff
2019-04-10 Mark AbrahamStart making IMD and swap model IMDModule tree | commitdiff
2019-04-02 Paul BauerRefactor gmx_group_t to SimulationAtomGroups tree | commitdiff
2019-03-25 Mark AbrahamConvert gmx dump to module tree | commitdiff
2019-03-06 Mark AbrahamMinor modernization in gmx_dump tree | commitdiff
2019-03-02 Mark AbrahamMerge branch release-2019 tree | commitdiff
2019-02-20 Paul BauerMerge branch 'release-2019' into master tree | commitdiff
2019-02-04 Roland SchulzRename all source files from - to _ for consistency. tree | commitdiff
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique tree | commitdiff
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019 tree | commitdiff
2019-01-23 Roland SchulzMerge release-2019 into master tree | commitdiff
2019-01-23 Roland SchulzMerge release-2018 into release-2019 tree | commitdiff
2019-01-11 Paul BauerMake AtomProperties class with Impl tree | commitdiff
2019-01-10 Paul BauerAdd mtop comparison function tree | commitdiff
2019-01-04 Paul BauerChange gmx_localtop_t to C++ tree | commitdiff
2019-01-02 Mark AbrahamMerge branch release-2019 tree | commitdiff
2018-12-31 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
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