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(parent: d99735c) | patch
Remove forcerec and inputrec from ewald_LRcorrection
authorejjordan <ejjordan@kth.se>
Tue, 18 May 2021 18:19:54 +0000 (20:19 +0200)
committerJoe Jordan <ejjordan12@gmail.com>
Wed, 19 May 2021 13:26:47 +0000 (13:26 +0000)
commit6fcfe25d8f12fab9a337d645adf9d1da323f2bf0
tree72f64c513396f71a711c66260f273593874d7853tree | snapshot
parentd99735c0ccb2c611004c60de72c5a3f8ab6a2860commit | diff
Remove forcerec and inputrec from ewald_LRcorrection

Only pass needed parameters to ewald_LRcorrection, instead of
entire forcerec and inputrec. This required also refactoring
EwaldBoxZScaler to only take needed parameters instead of a
whole inputrec.

Also made some names more verbose.
src/gromacs/ewald/ewald.cpp diff | blob | history
src/gromacs/ewald/ewald_utils.h diff | blob | history
src/gromacs/ewald/long_range_correction.cpp diff | blob | history
src/gromacs/ewald/long_range_correction.h diff | blob | history
src/gromacs/ewald/pme.cpp diff | blob | history
src/gromacs/ewald/pme_load_balancing.cpp diff | blob | history
src/gromacs/gmxpreprocess/grompp.cpp diff | blob | history
src/gromacs/mdlib/force.cpp diff | blob | history
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