From 7cca49b14b088b54b6ac2f123844e271d7162d36 Mon Sep 17 00:00:00 2001 From: Nick Curtis Date: Mon, 21 Feb 2022 17:32:40 -0500 Subject: [PATCH] hide pow behind conditional Change-Id: I8bb3f7a069207dd0e5a5b980d2a7e3e1a7e22ccb --- src/KOKKOS/pair_reaxff_kokkos.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index 70c034a70a..367d618212 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -1698,19 +1698,19 @@ void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalfBlocking< const F_FLOAT r_pi2 = paramstwbp(itype,jtype).r_pi2; if (paramssing(itype).r_s > 0.0 && paramssing(jtype).r_s > 0.0) { - C12 = p_bo1*pow(rij/r_s,p_bo2); + C12 = p_bo1 * ((p_bo2 != 0) ? (pow(rij/r_s,p_bo2)) : 1.0); BO_s = (1.0+bo_cut)*exp(C12); } else BO_s = C12 = 0.0; if (paramssing(itype).r_pi > 0.0 && paramssing(jtype).r_pi > 0.0) { - C34 = p_bo3*pow(rij/r_pi,p_bo4); + C34 = p_bo3 * ((p_bo4 != 0) ? (pow(rij/r_pi,p_bo4)) : 1.0); BO_pi = exp(C34); } else BO_pi = C34 = 0.0; if (paramssing(itype).r_pi2 > 0.0 && paramssing(jtype).r_pi2 > 0.0) { - C56 = p_bo5*pow(rij/r_pi2,p_bo6); + C56 = p_bo5 * ((p_bo6 != 0) ? (pow(rij/r_pi2,p_bo6)) : 1.0); BO_pi2 = exp(C56); } else BO_pi2 = C56 = 0.0;