// update the coordinates in the backend
nbv_->convertCoordinates(gmx::AtomLocality::Local, false, coordinateInput);
- nbv_->dispatchNonbondedKernel(gmx::InteractionLocality::Local, *interactionConst_, *stepWork_,
- enbvClearFYes, *forcerec_, enerd_.get(), nrnb_.get());
+ nbv_->dispatchNonbondedKernel(gmx::InteractionLocality::Local,
+ *interactionConst_,
+ *stepWork_,
+ enbvClearFYes,
+ *forcerec_,
+ enerd_.get(),
+ nrnb_.get());
nbv_->atomdata_add_nbat_f_to_f(gmx::AtomLocality::All, forceOutput);
}
const real particleDensity = coordinates.size() / det(legacyBox);
- nbnxn_put_on_grid(nbv_.get(), legacyBox, 0, lowerCorner, upperCorner, nullptr,
- { 0, int(coordinates.size()) }, particleDensity, particleInfoAllVdw,
- coordinates, 0, nullptr);
+ nbnxn_put_on_grid(nbv_.get(),
+ legacyBox,
+ 0,
+ lowerCorner,
+ upperCorner,
+ nullptr,
+ { 0, int(coordinates.size()) },
+ particleDensity,
+ particleInfoAllVdw,
+ coordinates,
+ 0,
+ nullptr);
}
} // namespace nblib