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Replace FramesToCompare enum by MaxNumFrames
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
tests
/
simulator.cpp
2020-09-25
Pascal Merz
Replace FramesToCompare enum by MaxNumFrames
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2020-09-23
Pascal Merz
Implement Berendsen thermostat for modular simulator
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2020-09-23
Mark Abraham
Permit comparison of only first frames
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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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2020-08-04
Erik Lindahl
Simplified uniform GPU selection in CMake
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2020-06-23
Pascal Merz
Refactor simulator comparison tests
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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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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2019-11-21
Mark Abraham
Merge branch release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-13
Erik Lindahl
Updated physical constants to CODATA 2018
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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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
Parrinello-Rahman barostat for modular simulator (leap...
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2019-09-20
Pascal Merz
Run simulator equivalence tests in double precision...
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2019-09-19
Paul Bauer
Add basic interface to run update on GPU
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2019-09-18
Pascal Merz
v-rescale thermostat for modular simulator
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2019-09-17
Pascal Merz
Make modular simulator the default code path for md...
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2019-09-12
Pascal Merz
Update modular simulator tests
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2019-09-05
Mark Abraham
Update mdrun test comparison infrastructure
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-05
Pascal Merz
Added Simulator comparison test
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