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Remove mdatoms from vsite
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
vsite.h
2021-05-04
ejjordan
Remove mdatoms from vsite
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2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
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2021-04-21
Mark Abraham
Use consistent naming for update groups
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2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
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2021-02-18
Pascal Merz
Implement velocity terms for virtual sites
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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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2020-06-23
Berk Hess
Add virtual site with one constructing atom
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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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2020-03-05
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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2020-02-25
Paul Bauer
Revert "Expose vsite counting"
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2020-02-13
Pascal Merz
Expose vsite counting
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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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2019-08-22
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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2019-04-17
Berk Hess
Simplify vsite PBC handling
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2019-03-08
Berk Hess
Clean up calc_verlet_buffer_size()
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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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2018-09-13
Roland Schulz
Remove useless comments
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2018-09-12
Berk Hess
Convert vsite structs to C++
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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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2018-07-04
Roland Schulz
Merge release-2018 into master
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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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2018-03-28
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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2018-02-27
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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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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2018-02-07
Prashanth Kanduri
Cleaning up do_force_cutsVERLET function from wallcycle...
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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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2017-10-15
Berk Hess
Improve vsite parallel checking
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-05
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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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-08
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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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-10
Berk Hess
Optimized the vsite threading
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2016-05-05
Teemu Murtola
Merge branch release-5-1
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2016-04-27
Mark Abraham
Merge branch release-5-1
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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-03-30
Mark Abraham
Clean up vsite code
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-06
Mark Abraham
Merge branch release-5-1
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2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Merge branch release-5-1
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