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Add lambda state to dhdl.xvg with AWH fep
[alexxy/gromacs.git]
/
src
/
gromacs
/
applied_forces
/
awh
/
read_params.cpp
2021-10-21
Berk Hess
Add lambda state to dhdl.xvg with AWH fep
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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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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2021-06-03
Berk Hess
Minor pull code cleanup
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-16
Paul Bauer
Fix AWH input reading
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2021-03-31
Berk Hess
Use EnumerationArray for pull isAngleType
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2021-03-10
Paul Bauer
Make AWH parameters proper C++
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-03-04
Paul Bauer
Modernize AWH enumerations
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2021-03-02
Magnus Lundborg
Disable awh-potential=convolved when using AWH with...
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2021-02-26
Magnus Lundborg
Introduce a check (in grompp) that AWH FEP sampling...
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2021-02-22
Paul Bauer
Refactor md_enums
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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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2021-01-07
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-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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2020-10-13
Joe Jordan
Fix segfault in pull reading
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2020-10-09
Berk Hess
Add MTS support for pull and AWH
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-08
Paul Bauer
Move densityfitting to its own directory
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