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Move foreign potential energy accumulation
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
energyelement.cpp
2020-07-06
Berk Hess
Move foreign potential energy accumulation
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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 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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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-19
Berk Hess
Fix mdrun appending invalidating energy files
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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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2019-10-23
Pascal Merz
Fix log writing (modular simulator)
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2019-10-23
Pascal Merz
Adapt enum to style convention (modular simulator)
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2019-10-23
Pascal Merz
Small improvement to EnergyElement (modular simulator)
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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
Parrinello-Rahman barostat for modular simulator (leap...
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2019-09-23
Pascal Merz
Zero pressure and virial tensors at beginning of step
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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
Enable checkpointing for modular simulator
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2019-09-10
Pascal Merz
StatePropagatorData: Introduced const box accessor...
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2019-09-06
Christian Blau
Adding energy output field for density fitting
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2019-09-05
Pascal Merz
Rename MicroState to StatePropagatorData for modular...
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2019-09-03
Pascal Merz
Introduce energy element for modular simulator
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biod.pnpi.spb.ru / alexxy / gromacs.git / history