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(parent: 8441b8d) | patch
Move shellfc code to the mdrun module
authorPrashanth Kanduri <kanduri@cscs.ch>
Fri, 29 Mar 2019 16:15:32 +0000 (17:15 +0100)
committerDavid van der Spoel <spoel@xray.bmc.uu.se>
Wed, 17 Apr 2019 16:50:30 +0000 (18:50 +0200)
commite03f7387bc7553ca0b25a4e576e9d19ea37bca84
treef104a925c5d1c485db583353caca236fee68ae79tree | snapshot
parent8441b8d83e36a12c6795f7b26a270b348c85ed52commit | diff
Move shellfc code to the mdrun module

This code was previously in mdlib and made use of the force
calculation routines. The introduction of the forceschedules
module (Patch 9363) introduces a cyclic dependency.

Therefore, this clean up is important to ensure that all
users of the Force Schedules are present in a single module.

Related: #2574, #2774

Change-Id: I19563f0f6e7985d198a2497a799c5377b24a1419
src/gromacs/domdec/mdsetup.cpp [moved from src/gromacs/mdlib/mdsetup.cpp with 99% similarity] diff | blob | history
src/gromacs/domdec/mdsetup.h [moved from src/gromacs/mdlib/mdsetup.h with 86% similarity] diff | blob | history
src/gromacs/domdec/partition.cpp diff | blob | history
src/gromacs/mdrun/CMakeLists.txt diff | blob | history
src/gromacs/mdrun/md.cpp diff | blob | history
src/gromacs/mdrun/mimic.cpp diff | blob | history
src/gromacs/mdrun/minimize.cpp diff | blob | history
src/gromacs/mdrun/rerun.cpp diff | blob | history
src/gromacs/mdrun/shellfc.cpp [moved from src/gromacs/mdlib/shellfc.cpp with 99% similarity] diff | blob | history
src/gromacs/mdrun/shellfc.h [moved from src/gromacs/mdlib/shellfc.h with 96% similarity] diff | blob | history
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