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Merge branch release-2021
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
simulatoralgorithm.cpp
2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-19
Pascal Merz
Fix modular simulator log writing in fresh simulation...
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2021-01-11
Pascal Merz
Fix copyright year
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2021-01-08
Pascal Merz
Make inputrec const everywhere in modular simulator
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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-2021' into merge-2021...
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-09
Andrey Alekseenko
Fix intemittent MdrunIOTests segfault
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2020-11-09
Berk Hess
Move implementation to cpp file
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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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2020-09-29
Pascal Merz
Fix bug resetting mdatoms masses to lambda=0 state
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2020-09-23
Pascal Merz
Access write checkpoint functionality directly
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2020-09-17
Pascal Merz
Rename VRescaleThermostat to VelocityScalingTemperature...
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2020-09-16
Pascal Merz
Implement modular checkpointing
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2020-09-02
Berk Hess
Enable splitting of listed interaction calculation
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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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2020-08-07
Pascal Merz
Introduce GlobalCommunicationHelper
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2020-08-07
Pascal Merz
Improve modular simulator builders
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2020-08-07
Pascal Merz
Separate ISimulator interface and data
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2020-07-18
Pascal Merz
Follow up to "Separate StatePropagatorData element...
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2020-07-15
Pascal Merz
Separate Element from FreeEnergyPerturbationData
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2020-07-14
Pascal Merz
Separate energy data and element
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2020-07-08
Pascal Merz
Separate StatePropagatorData element
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2020-07-03
Pascal Merz
Separate ModularSimulator and ModularSimulatorAlgorithm
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biod.pnpi.spb.ru / alexxy / gromacs.git / history