Only use fshift when needed
authorBerk Hess <hess@kth.se>
Tue, 20 Aug 2019 08:16:19 +0000 (10:16 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 2 Sep 2019 09:09:33 +0000 (11:09 +0200)
commit8be2f9578f40245591dbed699e9923403e8053a6
tree381f087761d1013ae712c9a1e86881695ac94877
parentb2c7e34915beec552273c6c0b93cb2a7e2e3f407
Only use fshift when needed

The shift force buffer in ForceWithShiftForces is now empty when
virial computation is not requested. This will simplify refactoring
of the force buffer management.

Change-Id: I6c8e543766703b038c178a0e95ccb536f367d5e1
src/gromacs/listed_forces/bonded.cpp
src/gromacs/listed_forces/bonded.h
src/gromacs/listed_forces/disre.cpp
src/gromacs/listed_forces/listed_forces.cpp
src/gromacs/listed_forces/orires.cpp
src/gromacs/listed_forces/pairs.cpp
src/gromacs/listed_forces/pairs.h
src/gromacs/mdtypes/forceoutput.h