diff --git a/source/lmp/fix_dplr.cpp b/source/lmp/fix_dplr.cpp index 14d966a044..57bbd5765a 100644 --- a/source/lmp/fix_dplr.cpp +++ b/source/lmp/fix_dplr.cpp @@ -522,6 +522,7 @@ void FixDPLR::pre_force(int vflag) { // int res_idx = sort_fwd_map[sel_fwd[idx0]]; int res_idx = sel_fwd[idx0]; // int ret_idx = dpl_bwd[res_idx]; + atom->image[idx1] = atom->image[idx0]; for (int dd = 0; dd < 3; ++dd) { x[idx1][dd] = x[idx0][dd] + tensor[res_idx * 3 + dd] * dist_unit_cvt_factor;