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Modernize wallcycle counting
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
shellfc.h
2021-04-14
Paul Bauer
Modernize wallcycle counting
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2021-03-23
ejjordan
More const ref in shellfc
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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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2021-02-15
Pascal Merz
Make the restraint history const during force calculation
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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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2020-10-14
Andrey Alekseenko
Revert "CUDA nightly fail: Dirty hack"
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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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2020-08-27
Berk Hess
Add ForceBuffers class
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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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2020-03-18
Berk Hess
Remove use of graph in do_force()
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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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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-22
Berk Hess
Minor cleanup in constraint and shellfc code
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2020-01-20
Berk Hess
Use std::vector in shellfc
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2020-01-09
Mark Abraham
Split lines with many copyright years
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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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2019-09-25
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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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-10
Pascal Merz
Add trivial const qualifiers to shellfc and EnergyOutput
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2019-09-07
Pascal Merz
ForceElement and ShellFCElement for the modular simulator
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2019-09-04
Szilárd Páll
Centralize more MD/force shedule flags
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-11
Pascal Merz
Make relax_shell_flexcon independent of t_state
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2019-07-09
Pascal Merz
Added trivial const qualifier to relax_shell_flexcon()
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2019-04-18
Mark Abraham
Move pull work struct out of inputrec
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2019-04-17
Prashanth Kanduri
Move shellfc code to the mdrun module
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