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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
constr.h
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-27
Mark Abraham
Use ObservablesReducer for LINCS RMSD computation
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-19
Joe Jordan
Clean up some headers in mdlib
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2021-05-13
Mark Abraham
Decouple update group handling from domain decompositio...
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
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2021-03-25
Joe Jordan
Use ArrayRef in signatures of constraints and some...
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2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-22
Paul Bauer
Refactor md_enums
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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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2020-09-29
Paul Bauer
Fix doxygen warnings
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-06-08
Artem Zhmurov
Move constraints related logic to constraints file
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2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on t_mdatoms
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-05
Berk Hess
Add InteractionDefinitions
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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 ArrayRef(WithPadding) in constraint 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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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-22
Berk Hess
Use ListOfLists for atom to constraint mapping
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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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2019-09-27
Artem Zhmurov
Slight improvements to GPU update/constraints initializ...
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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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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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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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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-23
Mark Abraham
Revert "Fixed dvdlambda for SHAKE + FE"
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2019-04-18
Mark Abraham
Move pull work struct out of inputrec
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2019-03-18
Prashanth Kanduri
Moving do_constraints_first(...) to constr.h
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-09
Berk Hess
Disallow rerun with perturbed masses or constraints
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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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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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-14
Berk Hess
Fixed nullptr derefence in LINCS error
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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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2018-09-19
Berk Hess
Convert gmx_ffparams_t to C++
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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2018-09-13
Roland Schulz
Remove useless comments
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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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2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-11
Roland Schulz
Enable clang-tidy for headers
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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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2018-07-04
Roland Schulz
Enable more warnings for Clang 6
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2018-06-13
Mark Abraham
Use more containers and views for constraints code
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2018-06-06
Berk Hess
Clean up make_at2con
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2018-06-05
Mark Abraham
Separate flexible constraint counting
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2018-06-05
Mark Abraham
Make Constraints a proper class
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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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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-03-06
Mark Abraham
Fixed dvdlambda for SHAKE + FE
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2018-02-28
Mark Abraham
Moved and removed constraint code
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diff to current
2018-02-28
Mark Abraham
Reorganized constraint code
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-13
Mark Abraham
Separate multisim from commrec
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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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