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Constructor for gmx_ekindata_t
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
isimulator.h
2021-04-12
ejjordan
Constructor for gmx_ekindata_t
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2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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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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2021-01-12
Pascal Merz
Make inputrec const at simulator level (leaves some...
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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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2020-08-07
Pascal Merz
Separate ISimulator interface and data
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2020-06-24
Berk Hess
Add class ListedForces
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2020-05-12
Berk Hess
Refactor virtual site interface
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-17
Pascal Merz
Make global topology const in ISimulator
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2020-04-03
Pascal Merz
Fix expanded ensemble on checkpoint restarts
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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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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2019-10-10
Paul Bauer
Basic population of simulation workload
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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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2019-09-19
Paul Bauer
Add basic interface to run update on GPU
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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-04
Szilárd Páll
Centralize more MD/force shedule flags
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2019-09-01
Christian Blau
Add checkpointing for MdModules
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-05
Pascal Merz
Move ownership of kinetic energy object to ISimulator
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2019-08-02
Pascal Merz
Introduce Simulator base class
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biod.pnpi.spb.ru / alexxy / gromacs.git / history