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Convert t_oriresdata to C++
[alexxy/gromacs.git]
/
src
/
gromacs
/
listed_forces
/
orires.cpp
2021-05-05
Berk Hess
Convert t_oriresdata to C++
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2021-04-22
Joe Jordan
Vectors in history_t
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2021-04-20
ejjordan
clang-tidy-11 fixes for listed_forces
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2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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2021-04-02
Paul Bauer
Replace gmx_mtop_ilistloop_all
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2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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2021-03-19
Joe Jordan
Use more arrayref in listed forces sigatures
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2021-02-24
Paul Bauer
Rework state checkpoint enum handling
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2021-02-19
ejjordan
Pass restraint data structures to bonded functions
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2021-02-15
Pascal Merz
Make the restraint history const during force calculation
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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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2020-11-24
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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2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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2020-06-24
Berk Hess
Add class ListedForces
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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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2020-03-18
Berk Hess
Use WholeMoleculeTransform for orires and epsilon-surface
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2020-03-05
Berk Hess
Add InteractionDefinitions
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2020-03-04
Paul Bauer
Merge "Merge branch 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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2020-02-20
David van der Spoel
Fixed bug in orires code that was checking too strict.
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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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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2019-09-02
Berk Hess
Only use fshift when needed
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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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2019-05-22
Mark Abraham
Move functionality to mdrunutility
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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biod.pnpi.spb.ru / alexxy / gromacs.git / history