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Add env.var. to disable update groups
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec.cpp
2018-10-18
Berk Hess
Add env.var. to disable update groups
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2018-10-09
Roland Schulz
Fix MSAN errors
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2018-10-08
Berk Hess
Enable update groups
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2018-10-05
Berk Hess
Add update groups to DD atom displacement
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2018-10-02
Berk Hess
Update DD cutoffs for update groups
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2018-09-29
Berk Hess
Add UpdateGroupsCog to DD
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2018-09-28
Mark Abraham
Use more default initialization of mdrun structs
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2018-09-22
Berk Hess
Add update groups boolean to DD
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2018-09-22
Berk Hess
Rename DD constraint booleans
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2018-09-18
Mark Abraham
Separated partitioning and dlb code within domdec
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2018-09-18
Berk Hess
Refactor ddbox handling
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2018-09-17
Pascal Merz
Fix typo in DD load balancing printing
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2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
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2018-09-14
Roland Schulz
Warn for type mismatch for gmx printf like functions 3/3
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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2018-09-11
Mark Abraham
Improve DD logging
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-09-02
Roland Schulz
Turn DlbState into scoped enum
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Berk Hess
Merge "Merge branch release-2018"
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-21
Berk Hess
Ensure domains are large enough for atom motion
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2018-08-20
Berk Hess
Remove compacting from DD redistribute
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2018-08-20
Berk Hess
Make gmx_ga2la_t a proper class
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 1/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-14
Roland Schulz
Fix int/bool bugs
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-08
Christian Blau
Local atom sets in rotational pulling.
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2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-08-07
Christian Blau
Local atom sets in compEL / ion swapping code.
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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-08-05
Mark Abraham
Reform enforced rotation working data
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2018-07-18
Berk Hess
Apply local atom sets in pull code
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2018-07-17
Christian Blau
Local atom set handling during simulations.
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-11
Roland Schulz
Clang warnings
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2018-07-10
Roland Schulz
Clang warnings: unreachable
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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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2018-07-03
Roland Schulz
Fix post-submit issues
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2018-07-03
Roland Schulz
Change ArrayRef::size_type to signed
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2018-07-02
Berk Hess
Convert DD DLB cell size handling to C++
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2018-07-02
Berk Hess
Fix recent bug with 2D/3D DLB
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-29
Berk Hess
Initialize DD DLB variable
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-28
Berk Hess
Rename atomGroups in gmx_domdec_t to atomGrouping
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2018-06-28
Berk Hess
Clean up dd_move_cellx()
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2018-06-28
Berk Hess
Convert gmx_domdec_sort_t to C++
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2018-06-28
Berk Hess
Change BlockRanges to class RangePartitioning
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2018-06-28
Roland Schulz
clang-tidy: performance-type-promotion-in-math-fn
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2018-06-28
Roland Schulz
Clang-tidy: enable further tests
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2018-06-27
Berk Hess
Fix bug with 2D/3D triclinic DD
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2018-06-27
Berk Hess
Base vacuum DD on atom coordinates
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2018-06-27
Berk Hess
Partial conversion of gmx_domdec_comm_t to C++
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2018-06-27
Berk Hess
Template and overload dd_sendrecv functions
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2018-06-27
Berk Hess
Correct DD zone size loop bound
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2018-06-14
Berk Hess
Introduced DDAtomRanges class
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2018-06-13
Mark Abraham
Call Constraints::setConstraints with other setup code
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2018-06-13
Berk Hess
Partial conversion of gmx_domdec_t to C++
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2018-06-05
Mark Abraham
Make proper BoxDeformation class
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2018-06-05
Mark Abraham
Make Constraints a proper class
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2018-05-25
Mark Abraham
Clean up force.h and its use
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2018-05-24
Berk Hess
Change nbs in nbv to std::unique
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2018-05-24
Berk Hess
Convert gmx_domdec_master_t to C++
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2018-05-23
Berk Hess
Split off collect.cpp from domdec.cpp
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2018-05-17
Berk Hess
Split off domdec distribution and cellsizes
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2018-05-17
Berk Hess
Split atom redistribution off from domdec.cpp
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2018-05-17
Berk Hess
Remove commrec from set_ddbox()
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2018-05-15
Berk Hess
Clean up PME domain count passing
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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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2018-04-04
Pascal Merz
Move checkNumberOfBondedInteractions
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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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2018-03-28
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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2018-03-14
Mark Abraham
Make a persistent physical node communicator
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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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2018-02-28
Mark Abraham
Moved and removed constraint code
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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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diff to current
2018-02-09
Mark Abraham
Merge branch release-2018
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diff to current
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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diff to current
2018-02-08
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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diff to current
2018-02-08
Aleksei Iupinov
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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2018-01-23
Mark Abraham
Remove support for implicit solvation
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2018-01-16
Mark Abraham
Merge "Merge release-2018 into master"
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2018-01-16
Roland Schulz
Merge release-2018 into master
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diff to current
2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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