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Replace DOMAINDECOMP macro by a renamed function
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
freeenergyperturbationdata.cpp
2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
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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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2021-06-16
Pascal Merz
Prepare free energy element for external FEP state...
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2021-05-26
Pascal Merz
Introduce domain decomposition notifications
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2021-05-11
Mark Abraham
Apply more clang-tidy-11
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2021-05-11
Mark Abraham
Apply clang-format-11
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-26
Joe Jordan
Remove inputrec from initialize_lambdas signature
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2021-04-11
Joe Jordan
Pass ref_t to initialize_lambdas
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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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2020-12-11
Pascal Merz
Fix trx frame reading from modular simulator checkpoint...
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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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2020-10-14
Mark Abraham
Fix compilation with MSVC
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-29
Pascal Merz
Fix bug resetting mdatoms masses to lambda=0 state
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2020-09-21
Pascal Merz
Checkpointdata DD followup
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2020-09-16
Pascal Merz
Implement modular checkpointing
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2020-09-10
Christian Blau
Simplify and fix how lambda values are set
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-16
Pascal Merz
Modular simulator: Don't wrap std::function in unique_ptr
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2020-08-14
Pascal Merz
Introduce flexible ModularSimulatorAlgorithmBuilder...
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2020-07-15
Pascal Merz
Separate Element from FreeEnergyPerturbationData
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