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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / fileio / tpxio.cpp
2021-11-03 Joe JordanRemove unused thole polarization rfac parameter commit | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups commit | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master commit | commitdiff
2021-10-05 Sebastian KehlRename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ. commit | commitdiff
2021-10-05 Sebastian KehlRename sc-scale-X-gapsys to sc-gapsys-scale-X. commit | commitdiff
2021-10-05 Sebastian KehlIntroduce explicit parameters for gapsys-sc. commit | commitdiff
2021-10-05 Sebastian KehlAdd gapsys softcore function. commit | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... commit | commitdiff
2021-09-03 Paul BauerAdd support for transformation pull coordinates commit | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... commit | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master commit | commitdiff
2021-06-17 Mark AbrahamRework -Weverything commit | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master commit | commitdiff
2021-04-23 Artem ZhmurovApply clang-11 fixes for fileio commit | commitdiff
2021-04-19 Artem ZhmurovMake Compartment, Channel, ChannelHistory and Domaint... commit | commitdiff
2021-04-02 Paul BauerReplace gmx_mtop_ilistloop_all commit | commitdiff
2021-03-31 Mark AbrahamMake EnumerationArray::size() not static commit | commitdiff
2021-03-30 Berk HessAdd coordIndex to t_pull_coord commit | commitdiff
2021-03-22 Kevin BoydClean up leaks in t_inputrec commit | commitdiff
2021-03-19 Paul BauerBulk change to const ref for mtop commit | commitdiff
2021-03-10 Paul BauerMake AWH parameters proper C++ commit | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 commit | commitdiff
2021-03-04 Paul BauerModernize AWH enumerations commit | commitdiff
2021-03-02 Paul BauerModernize atom enums commit | commitdiff
2021-02-24 Paul BauerRework state checkpoint enum handling commit | commitdiff
2021-02-22 Paul BauerRefactor md_enums commit | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master commit | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes commit | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 commit | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups commit | commitdiff
2021-01-20 Paul BauerFix TPR handling for older versions. commit | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 commit | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 commit | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. commit | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... commit | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff
2020-11-04 M. Eric IrrgangEstablish `api/` as the home for installed headers. commit | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-10-13 Joe JordanFix segfault in pull reading commit | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-09-30 Berk HessMove computeSlowForces into stepWork commit | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master commit | commitdiff
2020-07-07 Christian BlauMove finalising routine into mtop commit | commitdiff
2020-06-23 Berk HessAdd virtual site with one constructing atom commit | commitdiff
2020-06-22 Berk HessFix tpxio function type update table commit | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master commit | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 commit | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt3 commit | commitdiff
2020-03-05 Berk HessAdd InteractionDefinitions commit | commitdiff
2020-03-04 Paul BauerMerge "Merge branch release-2020 into master" commit | commitdiff
2020-03-04 Christian BlauSave excluded non-bonded interactions in .tpr file commit | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master commit | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 commit | commitdiff
2020-01-28 Paul BauerMerge branch origin/release-2020 into master commit | commitdiff
2020-01-24 Magnus LundborgRemoved SC RPower 48 from FEP kernel commit | commitdiff
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class commit | commitdiff
2020-01-09 Mark AbrahamSplit lines with many copyright years commit | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 commit | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master commit | commitdiff
2020-01-07 Erik LindahlWrite TPR body as opaque XDR data in big-endian format commit | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master commit | commitdiff
2019-12-29 Erik LindahlWrite TPR body as opaque XDR data in big-endian format commit | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 commit | commitdiff
2019-12-16 Berk HessUse ListOfLists in gmx_mtop_t and gmx_localtop_t commit | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 commit | commitdiff
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 commit | commitdiff
2019-11-07 Paul BauerApply clang-format to source tree commit | commitdiff
2019-10-29 Paul BauerMerge branch 'release-2019' into master commit | commitdiff
2019-10-01 Berk HessCompletely remove charge groups commit | commitdiff
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' commit | commitdiff
2019-09-24 Mark AbrahamMerge "Merge branch release-2019 into master" commit | commitdiff
2019-09-24 Paul BauerMerge branch release-2019 into master commit | commitdiff
2019-09-23 Paul BauerChange MPI setup to communicate TPR as buffer commit | commitdiff
2019-09-19 Paul BauerSplit up do_tpx_body functions commit | commitdiff
2019-09-18 Paul BauerRead TPR file body in buffer commit | commitdiff
2019-09-16 Berk HessRemove obsolete mdp option ns-type commit | commitdiff
2019-09-16 Berk HessAdd virtual site type 2FD commit | commitdiff
2019-09-06 Christian BlauAdding energy output field for density fitting commit | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 commit | commitdiff
2019-08-17 Christian BlauFix segfault with old tprs processing internal parameters commit | commitdiff
2019-08-14 Christian BlauInternal parameter storage for IMDModules commit | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master commit | commitdiff
2019-06-20 Paul BauerUse ISerializer for TPR file IO commit | commitdiff
2019-06-19 Paul BauerSplit tpr header reading reading from tpr body commit | commitdiff
2019-06-14 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff
2019-05-03 Paul BauerReplace t_grps with std::vector commit | commitdiff
2019-04-02 Paul BauerRefactor gmx_group_t to SimulationAtomGroups commit | commitdiff
2019-03-02 Mark AbrahamMerge branch release-2019 commit | commitdiff
2019-02-20 Paul BauerMerge branch 'release-2019' into master commit | commitdiff
2019-02-04 Roland SchulzRename all source files from - to _ for consistency. commit | commitdiff
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique commit | commitdiff
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019 commit | commitdiff
2019-01-23 Roland SchulzMerge release-2018 into release-2019 commit | commitdiff
2018-12-31 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff
2018-12-17 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff
2018-11-21 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff
2018-11-20 Mark AbrahamMerge "Merge release-2019 into master" commit | commitdiff
2018-11-16 Roland SchulzMerge release-2019 into master commit | commitdiff
2018-10-26 Mark AbrahamMerge "Merge branch release-2018 into release-2019... commit | commitdiff
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