/* TODO: Avoid updating all atoms at every bNS step */
fr->nbv->setAtomProperties(*mdatoms, fr->cginfo);
- fr->nbv->constructPairlist(Nbnxm::InteractionLocality::Local,
+ fr->nbv->constructPairlist(InteractionLocality::Local,
&top.excls, step, nrnb);
bNS = FALSE;
}
/* Note: NonLocal refers to the inserted molecule */
- fr->nbv->convertCoordinates(Nbnxm::AtomLocality::NonLocal, false, x);
+ fr->nbv->convertCoordinates(AtomLocality::NonLocal, false, x);
/* Clear some matrix variables */
clear_mat(force_vir);