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Bulk change to const ref for mtop
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
statepropagatordata.cpp
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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2021-03-02
Paul Bauer
Modernize atom enums
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2021-02-28
Joe Jordan
Use more const ref in domdec API
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2021-02-24
Paul Bauer
Rework state checkpoint enum handling
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-18
Pascal Merz
Implement velocity terms for virtual sites
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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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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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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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2020-09-06
Pascal Merz
Prepare legacy checkpoint for modular simulator checkpo...
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2020-09-03
Pascal Merz
Make dd_collect_vec independent of t_state
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-27
Berk Hess
Add ForceBuffers class
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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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2020-07-18
Pascal Merz
Follow up to "Separate StatePropagatorData element...
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2020-07-15
Pascal Merz
Separate Element from FreeEnergyPerturbationData
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2020-07-08
Pascal Merz
Separate StatePropagatorData element
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2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on t_mdatoms
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2020-05-25
Paul Bauer
Fix clang-tidy warnings
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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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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
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2020-01-31
Pascal Merz
StatePropagatorData: Make const box getters const functions
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-12
Pascal Merz
Fix final configuration writing for modular simulator
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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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2019-10-30
Pascal Merz
Fix doxygen for modular simulator
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-23
Pascal Merz
Fix log writing (modular simulator)
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2019-10-23
Pascal Merz
Adapt enum to style convention (modular simulator)
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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
Introduce FEP into modular simulator
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2019-09-20
Pascal Merz
Fix domdec for md-vv modular simulator
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2019-09-17
Pascal Merz
Fix position pinning for modular simulator
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2019-09-17
Pascal Merz
Fix modular simulator MPI bugs
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2019-09-17
Pascal Merz
Enable checkpointing for modular simulator
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2019-09-12
Artem Zhmurov
Change PaddedVector to PaddedHostVector for force CPU...
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2019-09-10
Pascal Merz
StatePropagatorData: Introduced const box accessor...
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2019-09-05
Pascal Merz
Rename MicroState to StatePropagatorData for modular...
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biod.pnpi.spb.ru / alexxy / gromacs.git / history