biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Introduce plumbing for ObservablesReducer
[alexxy/gromacs.git]
/
src
/
gromacs
/
modularsimulator
/
statepropagatordata.h
2021-09-07
Mark Abraham
Introduce plumbing for ObservablesReducer
blob
|
commitdiff
|
raw
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
blob
|
commitdiff
|
raw
|
diff to current
2021-06-29
Paul Bauer
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-06-18
Pascal Merz
Introduce ReferenceTemperatureManager
blob
|
commitdiff
|
raw
|
diff to current
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
blob
|
commitdiff
|
raw
|
diff to current
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
blob
|
commitdiff
|
raw
|
diff to current
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2020-12-18
Mark Abraham
Merge branch release-2021
blob
|
commitdiff
|
raw
|
diff to current
2020-12-11
Pascal Merz
Fix trx frame reading from modular simulator checkpoint...
blob
|
commitdiff
|
raw
|
diff to current
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
blob
|
commitdiff
|
raw
|
diff to current
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-09-21
Pascal Merz
Checkpointdata DD followup
blob
|
commitdiff
|
raw
|
diff to current
2020-09-16
Pascal Merz
Implement modular checkpointing
blob
|
commitdiff
|
raw
|
diff to current
2020-09-06
Pascal Merz
Prepare legacy checkpoint for modular simulator checkpo...
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-08-27
Berk Hess
Add ForceBuffers class
blob
|
commitdiff
|
raw
|
diff to current
2020-08-17
Pascal Merz
Use proper doxygen tags in modular simulator
blob
|
commitdiff
|
raw
|
diff to current
2020-08-16
Pascal Merz
Modular simulator: Don't wrap std::function in unique_ptr
blob
|
commitdiff
|
raw
|
diff to current
2020-08-14
Pascal Merz
Introduce flexible ModularSimulatorAlgorithmBuilder...
blob
|
commitdiff
|
raw
|
diff to current
2020-07-18
Pascal Merz
Follow up to "Separate StatePropagatorData element...
blob
|
commitdiff
|
raw
|
diff to current
2020-07-15
Pascal Merz
Separate Element from FreeEnergyPerturbationData
blob
|
commitdiff
|
raw
|
diff to current
2020-07-14
Pascal Merz
Separate energy data and element
blob
|
commitdiff
|
raw
|
diff to current
2020-07-08
Pascal Merz
Separate StatePropagatorData element
blob
|
commitdiff
|
raw
|
diff to current
2020-07-07
Pascal Merz
Annotate modular simulator headers with exposure level
blob
|
commitdiff
|
raw
|
diff to current
2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on t_mdatoms
blob
|
commitdiff
|
raw
|
diff to current
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-03-04
Paul Bauer
Merge branch release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
blob
|
commitdiff
|
raw
|
diff to current
2020-01-31
Pascal Merz
StatePropagatorData: Make const box getters const functions
blob
|
commitdiff
|
raw
|
diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
blob
|
commitdiff
|
raw
|
diff to current
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-12-12
Pascal Merz
Fix final configuration writing for modular simulator
blob
|
commitdiff
|
raw
|
diff to current
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-07
Paul Bauer
Apply clang-format to source tree
blob
|
commitdiff
|
raw
|
diff to current
2019-10-30
Pascal Merz
Fix doxygen for modular simulator
blob
|
commitdiff
|
raw
|
diff to current
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
blob
|
commitdiff
|
raw
|
diff to current
2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
blob
|
commitdiff
|
raw
|
diff to current
2019-09-24
Paul Bauer
Merge branch release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-09-23
Pascal Merz
Introduce FEP into modular simulator
blob
|
commitdiff
|
raw
|
diff to current
2019-09-17
Pascal Merz
Enable checkpointing for modular simulator
blob
|
commitdiff
|
raw
|
diff to current
2019-09-12
Artem Zhmurov
Change PaddedVector to PaddedHostVector for force CPU...
blob
|
commitdiff
|
raw
|
diff to current
2019-09-10
Pascal Merz
StatePropagatorData: Introduced const box accessor...
blob
|
commitdiff
|
raw
|
diff to current
2019-09-05
Pascal Merz
Rename MicroState to StatePropagatorData for modular...
blob
|
commitdiff
|
raw
|
diff to current
biod.pnpi.spb.ru / alexxy / gromacs.git / history