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Use const ref to inputrec in do_force
[alexxy/gromacs.git]
/
src
/
gromacs
/
essentialdynamics
/
edsam.h
2021-02-16
Joe Jordan
Use const ref to inputrec in do_force
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-01-29
Mark Abraham
Remove PrivateImplPointer in favour of std::unique_ptr
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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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2020-05-06
Paul Bauer
Merge branch 'origin/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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2020-01-28
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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2019-09-05
Pascal Merz
Make do_constrain_first() independent of t_state
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-05
Berk Hess
Make box const in do_force()
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-13
Mark Abraham
Deprecate various functionality in GROMACS 2019
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2018-08-30
Christian Blau
Store essential dynamics parameters as vectors instead...
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-08
Christian Blau
Make essential dynamics a C++ type.
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-05-04
Mark Abraham
Merge "Merge branch release-2018"
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2018-05-04
Mark Abraham
More const correctness
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Clean up constraints code
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-13
Mark Abraham
Add more const to uses of t_commrec and t_inputrec
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-09-25
Berk Hess
Set global state on master rank only
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-06-09
Carsten Kutzner
Moved essential dynamics initialization call into do_md()
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2017-05-22
Berk Hess
Introduce ObservablesHistory container
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-04-29
Carsten Kutzner
Minor header file cleanup in ED, IMD and CompEL modules
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-13
Berk Hess
Change ED and swapstate to pointers in t_state
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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