diff --git a/src/USER-REAXC/reaxc_valence_angles.cpp b/src/USER-REAXC/reaxc_valence_angles.cpp index 8ffd103a9d..95b0ab4f69 100644 --- a/src/USER-REAXC/reaxc_valence_angles.cpp +++ b/src/USER-REAXC/reaxc_valence_angles.cpp @@ -235,7 +235,9 @@ void Valence_Angles( reax_system *system, control_params *control, if( (j < system->n) && (BOA_jk > 0.0) && - (bo_ij->BO * bo_jk->BO > SQR(control->thb_cut)/*0*/) ) { + (bo_ij->BO > control->thb_cut) && + (bo_jk->BO > control->thb_cut) && + (bo_ij->BO * bo_jk->BO > 0.001) ) { r_jk = pbond_jk->d; thbh = &( system->reax_param.thbp[ type_i ][ type_j ][ type_k ] );