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Reimplement constant acceleration groups
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsKeyWithoutValue.xml
2021-10-29
Berk Hess
Reimplement constant acceleration groups
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-10-05
Sebastian Kehl
Uncapitalize sc-gapsys parameters in input.
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2021-10-05
Sebastian Kehl
Rename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ.
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2021-10-05
Sebastian Kehl
Rename sc-scale-X-gapsys to sc-gapsys-scale-X.
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2021-10-05
Sebastian Kehl
Introduce explicit parameters for gapsys-sc.
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2021-10-05
Sebastian Kehl
Swap position of sc-function in readir.
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2021-10-05
Sebastian Kehl
Add gapsys softcore function.
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2021-09-29
Dmitry Morozov
Activate QMMM MDModule
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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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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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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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2021-01-27
Pascal Merz
Remove constant acceleration groups
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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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2020-10-09
Christian Blau
Remove dysfunctional QMMM interface pt5
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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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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2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
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2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
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2019-12-04
Christian Blau
Remove cutoff-scheme group from default mdout.mdp output
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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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2019-10-29
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
Paul Bauer
Merge branch release-2019 into master
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2019-09-16
Berk Hess
Remove obsolete mdp option ns-type
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2019-09-11
Christian Blau
Add comments to grompp generated .mdp output for densit...
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2019-08-28
Mark Abraham
Improved usability of grompp by rejecting more invalid...
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biod.pnpi.spb.ru / alexxy / gromacs.git / history