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Clean up PME rank variables
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec.h
2019-09-09
Berk Hess
Clean up PME rank variables
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2019-09-07
Pascal Merz
Make pme_loadbal_do() independent of t_state
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2019-09-06
Berk Hess
Extract getting of DDRankSetup
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2019-09-05
Pascal Merz
Make do_constrain_first() independent of t_state
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2019-09-04
Berk Hess
Move constraint and bonded filtering info into DDSystemInfo
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2019-09-03
Berk Hess
Extract DDSystemInfo from gmx_domdec_comm_t
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2019-09-03
Berk Hess
Remove gmx_domdec_t from dd_choose_grid()
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
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2019-08-05
Berk Hess
Make box const in do_force()
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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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2019-06-14
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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2019-03-28
Mark Abraham
Move DomdecOptions into its own header
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2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun.h"
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2019-03-06
Mark Abraham
Eliminate mdlib/mdrun.h
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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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2019-01-30
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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2019-01-04
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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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-09
Mark Abraham
Fix DomdecOptions default
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2018-09-28
Mark Abraham
Use more default initialization of mdrun structs
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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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2018-09-11
Mark Abraham
Improve DD logging
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2018-09-11
Pascal Merz
Added trivial const qualifiers
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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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2018-08-08
Christian Blau
Local atom sets in rotational pulling.
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-08-05
Mark Abraham
Reform enforced rotation working data
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2018-07-17
Christian Blau
Local atom set handling during simulations.
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2018-07-11
Roland Schulz
Clang warnings
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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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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-29
Berk Hess
Convert gmx_domdec_constraints_t to C++
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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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2018-06-14
Berk Hess
Introduced DDAtomRanges class
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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
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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2018-03-28
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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2018-02-08
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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2018-02-06
Aleksei Iupinov
Remove unnecessary includes from domdec.h
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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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2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
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2017-11-09
Mark Abraham
Prepared t_mdatoms for using vector
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2017-11-07
Mark Abraham
Reform gmx_pme_pp alloc and use vector
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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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2017-09-25
Berk Hess
Set global state on master rank only
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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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2017-09-03
Berk Hess
Put mdrun options in structs
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2017-09-02
Berk Hess
Put all domdec options in a struct
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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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2017-08-06
Mark Abraham
Decouple task assignment from task execution
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2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
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2017-07-09
Berk Hess
Restructure the load balancing timing
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2017-06-29
M. Eric Irrgang
Mark unmodified input parameter const
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history