Introduce plumbing for ObservablesReducer
[alexxy/gromacs.git] / src / gromacs / modularsimulator / propagator.cpp
2021-09-07 Mark AbrahamIntroduce plumbing for ObservablesReducer
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-06-29 Paul BauerMerge branch release-2021 into master
2021-06-15 Mark AbrahamRemove some NOLINT now that clang-tidy-11 is required
2021-05-11 Mark AbrahamApply more clang-tidy-11
2021-05-11 Mark AbrahamApply clang-format-11
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-05-06 Pascal MerzUnify temperature and pressure coupling connection
2021-04-21 Pascal MerzIntroduce TimeStep and Offset strong types
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads
2021-04-16 Pascal MerzIntroduce position and velocity scaling propagators
2021-04-14 Paul BauerModernize wallcycle counting
2021-04-12 Pascal MerzAllow thermostat to scale velocities before and after...
2021-04-11 Pascal MerzPropagate from current rather than previous position
2021-04-02 Pascal MerzClarify connection of temperature / pressure coupling...
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-01-29 Mark AbrahamMerge branch release-2021
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2020-12-18 Mark AbrahamMerge branch release-2021
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree.
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020...
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-09-06 Pascal MerzModular simulator: Simplify velocity update dispatch
2020-08-31 Paul BauerMerge branch 'release-2020' into master
2020-08-27 Berk HessAdd ForceBuffers class
2020-08-16 Pascal MerzModular simulator: Don't wrap std::function in unique_ptr
2020-08-14 Pascal MerzIntroduce flexible ModularSimulatorAlgorithmBuilder...
2020-06-17 Pascal MerzFix style errors in modular simulator propagator
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-02-23 ejjordanUse more forward declarations to removed header depende...
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-30 Pascal MerzFix doxygen for modular simulator
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Mark AbrahamMerge "Merge branch release-2019 into master"
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-23 Pascal MerzParrinello-Rahman barostat for modular simulator (leap...
2019-09-18 Pascal Merzv-rescale thermostat for modular simulator
2019-09-12 Pascal MerzUpdate modular simulator tests
2019-09-10 Pascal MerzCoordinate Propagators