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Change some domdec data members to RVec or IVec
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
force.cpp
2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
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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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2019-11-14
ejjordan
Remove qm dependence on forcerec in do_force_lowlevel
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-11-01
Berk Hess
Add haveEwaldSurfaceContribution to SimulationWorkload
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-08
Berk Hess
Simplify ewald_LRcorrection() call signature
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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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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-10
Szilárd Páll
Eliminate raw force flags in do_force_lowlevel()
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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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2019-08-16
Mark Abraham
Update testing matrices and fix warnings
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2019-08-05
Berk Hess
Change ForceOutputs to a class
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-19
Berk Hess
Refactor PME atom handling
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-14
Berk Hess
Make all do_force_lowlevel() input const
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2019-05-04
Berk Hess
Remove PME exclusion correction
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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2019-04-16
Szilárd Páll
Remove "coarse load balancing vars" from forcerec
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2019-04-16
Szilárd Páll
Group scheme related cleanup
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2019-04-16
Szilárd Páll
Remove Group scheme neighbor search wrapper
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-03-26
Szilárd Páll
Skip PBC calculation when there are no listed forces
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2019-03-26
Szilárd Páll
do_force_cutsVERLET cleanup
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2019-03-21
Szilárd Páll
Reorder PBC setup in do_force_lowlevel
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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 "Merge branch 'release-2019' into master"
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2019-02-20
Berk Hess
Refactor DLB region handling
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-20
Berk Hess
Fix mass Delta H double counting
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2019-02-15
Berk Hess
Fix mass Delta H double counting
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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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-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-03
Mark Abraham
Move responsibility for PME reduction to its module
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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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2018-10-26
Mark Abraham
Merge "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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2018-10-26
Berk Hess
Add missing mass term to deltaH
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2018-10-23
Berk Hess
Add missing constraint term to deltaH
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-29
Berk Hess
Refactor wall potential calculation
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-08
Roland Schulz
2/3 of old-style casting
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-03
Roland Schulz
Change ArrayRef::size_type to signed
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2018-07-02
Mark Abraham
Remove some pieces from forcerec.h
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-13
Berk Hess
Partial conversion of gmx_domdec_t to C++
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2018-05-25
Mark Abraham
Clean up force.h and its use
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2018-05-24
Mark Abraham
Remove bDomDec from t_forcerec
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2018-05-04
Mark Abraham
Merge "Merge branch release-2018"
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2018-05-04
Mark Abraham
More const correctness
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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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2018-04-12
Mark Abraham
Remove use of where(), if DEBUG etc.
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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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2018-02-13
Mark Abraham
Separate multisim from commrec
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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
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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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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2017-11-03
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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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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biod.pnpi.spb.ru / alexxy / gromacs.git / history