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Replace DOMAINDECOMP macro by a renamed function
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
parrinellorahmanbarostat.cpp
2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-09-07
Mark Abraham
Introduce plumbing for ObservablesReducer
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-11
Mark Abraham
Apply more clang-tidy-11
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2021-05-11
Mark Abraham
Apply clang-format-11
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-06
Pascal Merz
Unify temperature and pressure coupling connection
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2021-04-21
Pascal Merz
Introduce TimeStep and Offset strong types
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2021-04-12
Pascal Merz
Remove explicit dependency of EnergyData on thermostat...
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2021-04-02
Pascal Merz
Clarify connection of temperature / pressure coupling...
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2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-21
Pascal Merz
Checkpointdata DD followup
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2020-09-16
Pascal Merz
Implement modular checkpointing
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2020-09-08
Pascal Merz
Remove dependency of EnergyData on t_state
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-16
Pascal Merz
Modular simulator: Don't wrap std::function in unique_ptr
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2020-08-14
Pascal Merz
Introduce flexible ModularSimulatorAlgorithmBuilder...
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2020-07-14
Pascal Merz
Separate energy data and element
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2020-06-09
Artem Zhmurov
Make SD stuff private for update.cpp
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-02-14
Pascal Merz
Fix Parrinello-Rahman scaling on initial step (modular...
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-30
Pascal Merz
Fix doxygen for modular simulator
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
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2019-09-23
Pascal Merz
Parrinello-Rahman barostat for modular simulator (leap...
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