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Add second LINCS atom update task
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
enerdata_utils.cpp
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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2021-05-26
ejjordan
Remove foreign energy groups from gmx_enerdata_t
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-13
Joe Jordan
Use array for term and foreign_term in gmx_enerdata_t
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2021-03-19
Joe Jordan
Make non bonded energy terms enum class
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-03-01
Berk Hess
Fix mass perturbation to dH/dlambda
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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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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-20
Magnus Lundborg
Make it possible to use FEP lambda states as a reaction...
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2020-08-07
Berk Hess
Add accumulation checks to ForeignLambdaTerms
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2020-07-31
Berk Hess
Move foreign potential energy accumulation
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2020-07-06
Berk Hess
Move foreign potential energy accumulation
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2020-06-26
Berk Hess
Move dispersion correction call to do_force()
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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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2020-03-03
Magnus Lundborg
Store dHdL for all neighbor lambdas
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Mark Abraham
Split lines with many copyright years
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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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2019-11-20
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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2019-10-29
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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2019-09-17
Pascal Merz
Minor tweaks to sum_dhdl and setCurrentLambdasLocal
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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