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Introduce plumbing for ObservablesReducer
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
modularsimulator.h
2021-09-07
Mark Abraham
Introduce plumbing for ObservablesReducer
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-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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2020-12-11
Pascal Merz
Fix trx frame reading from modular simulator checkpoint...
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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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2020-09-06
Pascal Merz
Prepare legacy checkpoint for modular simulator checkpo...
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2020-09-03
Pascal Merz
Remove unnecessary friend declaration
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-14
Pascal Merz
Introduce flexible ModularSimulatorAlgorithmBuilder...
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2020-08-07
Pascal Merz
Separate ISimulator interface and data
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2020-07-07
Pascal Merz
Annotate modular simulator headers with exposure level
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2020-07-03
Pascal Merz
Separate ModularSimulator and ModularSimulatorAlgorithm
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2020-06-24
Berk Hess
Add class ListedForces
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2020-06-18
Pascal Merz
Modular simulator: Separate trajectory element and...
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-09
M. Eric Irrgang
Consolidate logic for whether to use ModularSimulator.
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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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2020-02-14
Pascal Merz
Move modular simulator decision before checkpoint loading
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2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
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2020-01-31
Pascal Merz
Modular simulator: Allow for nullptr in element list...
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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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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-23
Pascal Merz
Introduce FEP into modular simulator
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2019-09-23
Pascal Merz
Fix vrescale thermostat integral (modular simulator)
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2019-09-17
Pascal Merz
Make modular simulator the default code path for md...
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2019-09-17
Pascal Merz
Enable checkpointing for modular simulator
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2019-09-15
Pascal Merz
Introduce the modular simulator
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biod.pnpi.spb.ru / alexxy / gromacs.git / history