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Only use const ref for mtop and inputrec in domdec
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec_topology.cpp
2021-02-26
Joe Jordan
Only use const ref for mtop and inputrec in domdec
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2021-02-22
Mark Abraham
Hide newly exposed domdec internals
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2021-02-22
Paul Bauer
Remove raw pointer to gmx_reverse_top
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2021-02-22
Berk Hess
Reduce use of gmx_domdec_t in domdec_topology.cpp
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-19
Berk Hess
Clean up DD reverse topology options
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-05
Paul Bauer
Clean up domdec again after clang-tidy-11 fixes
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2021-02-05
Paul Bauer
Fix clang-tidy-11 for domdec and utility
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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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2020-09-10
Gilles Gouaillardet
fix check_assign_interactions_atom()
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-26
Gilles Gouaillardet
fix check_assign_interactions_atom()
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2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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2020-05-19
Berk Hess
Refactor print_missing_interactions()
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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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2020-04-27
Mark Abraham
Improved some logic in do_force
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2020-03-17
Berk Hess
Convert t_graph to C++
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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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2020-02-24
Pascal Merz
Use ArrayRef in compute_globals
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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-02-13
Pascal Merz
Fix checkNumberOfBondedInteractions bug
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-13
Berk Hess
Avoid unnecessary exclusion generation in DD
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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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2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
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2019-12-19
Berk Hess
Expand ListOfLists pushBack() functionality
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2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
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2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-21
Mark Abraham
Merge branch release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-18
Berk Hess
Fix intermolecular interactions with DD
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2019-11-14
Berk Hess
Simplify t_forcerec destruction
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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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2019-10-01
Berk Hess
Use gmx::Range in domdec
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2019-10-01
Berk Hess
Completely remove charge groups
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2019-10-01
Berk Hess
Simplify DD exclusion counting
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2019-09-27
Berk Hess
Extract gmx::Range
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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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2019-09-19
Berk Hess
Remove bLocalCG from DD code
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2019-09-19
Berk Hess
Remove obsolete make_exclusions_zone_cg()
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2019-09-19
ejjordan
Remove or update comments containing 'group scheme'
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2019-09-04
Berk Hess
Move constraint and bonded filtering info into DDSystemInfo
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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2019-08-16
Mark Abraham
Update testing matrices and fix warnings
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-11
Pascal Merz
Remove dependence of compute_globals on t_state
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2019-07-02
Kevin Boyd
Remove references to ecutsGROUP
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-18
Berk Hess
Remove charge groups from domdec and localtop
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2019-04-17
Berk Hess
Simplify vsite PBC handling
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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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2019-02-11
Roland Schulz
Remove EmptyArrayRef
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-07
Roland Schulz
Add ssize and remove static_casts
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2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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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-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-09
Paul Bauer
Fix uncrustify complaining about files
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2019-01-04
Paul Bauer
Change gmx_localtop_t to C++
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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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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-11-01
Berk Hess
Fix broken update groups
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-13
Viacheslav Bolnykh
Updated name of intemolecular exclusions function
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2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
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2018-10-08
Berk Hess
Enable update groups
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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-10-02
Berk Hess
Update DD cutoffs for update groups
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2018-09-22
Berk Hess
Rename DD constraint booleans
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2018-09-21
Roland Schulz
Fix clang-tidy warnings for clang 7
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2018-09-19
Berk Hess
Convert gmx_cmap_t to C++
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2018-09-19
Berk Hess
Convert gmx_ffparams_t to C++
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2018-09-18
Mark Abraham
Separated partitioning and dlb code within domdec
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2018-09-17
Berk Hess
Change pointers to InteractionList to references
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2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
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