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Remove support for implicit solvation
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec.cpp
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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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2018-01-09
Berk Hess
Do not turn on DLB at replica exchange
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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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2017-12-05
Berk Hess
Fix DD exact continuation bug
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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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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
Aleksei Iupinov
Replace math.h by cmath includes in cpp files
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-30
Aleksei Iupinov
Fix reference mode build unused function warnings
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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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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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2017-10-12
Berk Hess
Simplify virial handling
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2017-10-06
Berk Hess
Improve PaddedRVecVector resizing
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2017-10-05
Mark Abraham
Continue removing -nb gpu_cpu
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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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2017-07-27
Szilárd Páll
Inform users about the end of run DLB state
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2017-07-18
Mark Abraham
Converted some const pointers into const references...
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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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2017-06-28
Roland Schulz
Merge "Merge branch release-2016"
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-06-21
Szilárd Páll
Re-enable lost DD warning + minor code modernization
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2017-06-20
Szilárd Páll
Re-enable accidentally lost DD warning
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2017-06-20
Szilárd Páll
Refactoring + clarification of DLB state handling
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2017-06-12
Berk Hess
Fix null pointer print in DD
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2017-05-23
Berk Hess
Add conserved quantity for Berendsen P-couple
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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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2017-02-28
Berk Hess
Add load balance fraction to DLB print
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-09
Mark Abraham
Improved state_change_natoms and used it more
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2017-02-09
Mark Abraham
Remove EST_DISTR from state.h
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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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2016-10-28
Berk Hess
DLB can now turn off, when slower
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2016-10-13
Teemu Murtola
Use gmx_mtop_t in selections, part 2
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2016-10-11
Berk Hess
Speed up mtop_util atom lookup
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2016-10-10
Mark Abraham
Merge "Merge branch release-2016"
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-29
Berk Hess
Use std::vector in t_state
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2016-09-16
Berk Hess
Fixed unused variables in domdec.cpp
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2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-13
Berk Hess
Moved expanded ensemble history to pointer in t_state
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-06
Berk Hess
Consolidate MD algorithm atom setup
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2016-09-04
Berk Hess
Merge branch 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
Roland Schulz
Remove unnecessary ICC warning suppression
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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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2016-05-05
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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2016-04-13
Szilárd Páll
Spelling fixes
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2016-03-18
Nicholas Breen
Various minor spelling fixes - messages and code commen...
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2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-10
Mark Abraham
Fix issues to update cppcheck support to 1.72
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2016-02-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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