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
/
simulatoralgorithm.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
2021-06-10
Pascal Merz
Allow elements to schedule pre-step and post-step functions
blob
|
commitdiff
|
raw
|
diff to current
2021-06-07
Pascal Merz
Introduce Trotter decomposition / MTTK for modular...
blob
|
commitdiff
|
raw
|
diff to current
2021-05-27
Pascal Merz
Clean up simulator algorithm
blob
|
commitdiff
|
raw
|
diff to current
2021-05-26
Pascal Merz
Introduce domain decomposition notifications
blob
|
commitdiff
|
raw
|
diff to current
2021-05-10
Pascal Merz
Clarify builder-time data, introduce simulation-time...
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
2021-05-06
Pascal Merz
Unify temperature and pressure coupling connection
blob
|
commitdiff
|
raw
|
diff to current
2021-04-16
Pascal Merz
Introduce position and velocity scaling propagators
blob
|
commitdiff
|
raw
|
diff to current
2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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
2021-02-12
Mark Abraham
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-01-29
Mark Abraham
Merge branch release-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-01-11
Pascal Merz
Fix copyright year
blob
|
commitdiff
|
raw
|
diff to current
2021-01-08
Pascal Merz
Make inputrec const everywhere in modular simulator
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
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
blob
|
commitdiff
|
raw
|
diff to current
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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
2020-11-09
Andrey Alekseenko
Fix intemittent MdrunIOTests segfault
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
2020-09-30
Pascal Merz
Fix #3655
blob
|
commitdiff
|
raw
|
diff to current
2020-09-16
Pascal Merz
Implement modular checkpointing
blob
|
commitdiff
|
raw
|
diff to current
2020-09-08
Pascal Merz
Remove dependency of EnergyData on t_state
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-08-16
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
2020-08-07
Pascal Merz
Introduce GlobalCommunicationHelper
blob
|
commitdiff
|
raw
|
diff to current
2020-08-07
Pascal Merz
Improve modular simulator builders
blob
|
commitdiff
|
raw
|
diff to current
2020-08-07
Pascal Merz
Separate ISimulator interface and data
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
2020-07-03
Pascal Merz
Separate ModularSimulator and ModularSimulatorAlgorithm
blob
|
commitdiff
|
raw
|
diff to current
biod.pnpi.spb.ru / alexxy / gromacs.git / history