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Remove charge groups from domdec and localtop
[alexxy/gromacs.git]
/
src
/
gromacs
/
topology
/
mtop_util.cpp
2019-04-18
Berk Hess
Remove charge groups from domdec and localtop
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-25
Paul Bauer
Refactor ExclusionBlocks
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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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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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-26
Roland Schulz
Fix clang warning
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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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2019-01-23
Roland Schulz
Turn SystemAtomIterator into proper iterator
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2019-01-18
Paul Bauer
Change one gmx_mtop_t atom loop to C++
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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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2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
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2018-11-21
David van der Spoel
Merge branch 'release-2019'
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-09
David van der Spoel
Change get_atom_index to allow multiple molecules.
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-15
Mark Abraham
Create ExclusionBlocks
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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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2018-10-01
Paul Bauer
Change get_atom_index to return int
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2018-09-20
Paul Bauer
Separate methods to create localtop and t_topology
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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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2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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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 modernize
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2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-28
Berk Hess
Change BlockRanges to class RangePartitioning
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2018-06-05
Mark Abraham
Make Constraints a proper class
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-17
Paul Bauer
Fix legacy topology memory error
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2018-04-16
Berk Hess
Move natoms_mol out of gmx_molblock_t
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-09
Berk Hess
Convert gmx_molblock_t to C++
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2018-04-03
Berk Hess
Convert gmx_mtop_t to C++
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2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-28
Berk Hess
Remove mols from gmx_mtop_t
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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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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2017-09-17
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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2017-05-09
Mark Abraham
Merge branch release-2016
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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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2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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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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2016-10-15
Teemu Murtola
Fix most memory leaks recently introduced
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2016-10-12
Teemu Murtola
Use gmx_mtop_t in selections, part 1
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2016-10-11
Teemu Murtola
Support concurrent t_topology and gmx_mtop_t use
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2016-10-11
Berk Hess
Speed up mtop_util atom lookup
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-08
Berk Hess
Add readConfAndTopology
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-29
Berk Hess
Add flags for optional t_atoms entries
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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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diff to current
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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diff to current
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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diff to current
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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2016-05-05
Teemu Murtola
Merge branch release-5-1
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biod.pnpi.spb.ru / alexxy / gromacs.git / history