int numAtomsMoved,
const int* move)
{
- nb_verlet->pairSearch_->putOnGrid(box, gridIndex, lowerCorner, upperCorner, updateGroupsCog,
- atomRange, atomDensity, atomInfo, x, numAtomsMoved, move,
+ nb_verlet->pairSearch_->putOnGrid(box,
+ gridIndex,
+ lowerCorner,
+ upperCorner,
+ updateGroupsCog,
+ atomRange,
+ atomDensity,
+ atomInfo,
+ x,
+ numAtomsMoved,
+ move,
nb_verlet->nbat.get());
}
c1[d] = zones->size[zone].bb_x1[d];
}
- nbnxn_put_on_grid(nbv, nullptr, zone, c0, c1, nullptr,
- { zones->cg_range[zone], zones->cg_range[zone + 1] }, -1, atomInfo, x, 0,
+ nbnxn_put_on_grid(nbv,
+ nullptr,
+ zone,
+ c0,
+ c1,
+ nullptr,
+ { zones->cg_range[zone], zones->cg_range[zone + 1] },
+ -1,
+ atomInfo,
+ x,
+ 0,
nullptr);
}
}
wallcycle_start(wcycle_, ewcNB_XF_BUF_OPS);
wallcycle_sub_start(wcycle_, ewcsNB_X_BUF_OPS);
- nbnxn_atomdata_copy_x_to_nbat_x(pairSearch_->gridSet(), locality, fillLocal,
- as_rvec_array(coordinates.data()), nbat.get());
+ nbnxn_atomdata_copy_x_to_nbat_x(
+ pairSearch_->gridSet(), locality, fillLocal, as_rvec_array(coordinates.data()), nbat.get());
wallcycle_sub_stop(wcycle_, ewcsNB_X_BUF_OPS);
wallcycle_stop(wcycle_, ewcNB_XF_BUF_OPS);