Remove a force buffer argument from IForceProvider
authorBerk Hess <hess@kth.se>
Fri, 29 Sep 2017 10:36:28 +0000 (12:36 +0200)
committerBerk Hess <hess@kth.se>
Wed, 4 Oct 2017 08:33:43 +0000 (10:33 +0200)
commit10a37c8efd41a33b32701a8f25eebf83cf56dc1e
tree72080c89af41913d9f9caba4122f3fae440e61fc
parent4757113086cd7d778fc435f4eeddb972773a2eea
Remove a force buffer argument from IForceProvider

For the foreseeable future force providers will produce forces that
should not go into the coord x force type virial calculation.
Therefore the old force argument is now removed and the old f_novirsum
argument is renamed to force. Also removed the confusingly named
withoutVirialContribution_ container (because providers should actually
provide the virial contributions).

Change-Id: I580ac2cef31da6c191a0852c1f3be0c9e09ea1b0
src/gromacs/applied-forces/electricfield.cpp
src/gromacs/applied-forces/tests/electricfield.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdtypes/iforceprovider.cpp
src/gromacs/mdtypes/iforceprovider.h