diff --git a/PuReMD/src/nonbonded.c b/PuReMD/src/nonbonded.c index bdcd80792597b02d120d5c587169d80e2efefcb4..bb593b721904bdcc399be5913d6a5cfea5d7b1cb 100644 --- a/PuReMD/src/nonbonded.c +++ b/PuReMD/src/nonbonded.c @@ -253,7 +253,11 @@ void Tabulated_vdW_Coulomb_Energy( reax_system *system, control_params *control, j = nbr_pj->nbr; orig_j = system->my_atoms[j].orig_id; +#if defined(HALF_LIST) if ( nbr_pj->d <= control->nonb_cut && (j < natoms || orig_i < orig_j) ) +#else + if ( nbr_pj->d <= control->nonb_cut && orig_i < orig_j ) +#endif { j = nbr_pj->nbr; type_j = system->my_atoms[j].type;