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hide pow behind conditional

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Change-Id: I8bb3f7a069207dd0e5a5b980d2a7e3e1a7e22ccb
This commit is contained in:
Nick Curtis
2022-02-21 17:32:40 -05:00
parent 798975b809
commit 7cca49b14b
1 changed files with 3 additions and 3 deletions
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6
src/KOKKOS/pair_reaxff_kokkos.cpp
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@ -1698,19 +1698,19 @@ void PairReaxFFKokkos<DeviceType>::operator()(TagPairReaxBuildListsHalfBlocking<
const F_FLOAT r_pi2 = paramstwbp(itype,jtype).r_pi2; const F_FLOAT r_pi2 = paramstwbp(itype,jtype).r_pi2;
if (paramssing(itype).r_s > 0.0 && paramssing(jtype).r_s > 0.0) { 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); BO_s = (1.0+bo_cut)*exp(C12);
} }
else BO_s = C12 = 0.0; else BO_s = C12 = 0.0;
if (paramssing(itype).r_pi > 0.0 && paramssing(jtype).r_pi > 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); BO_pi = exp(C34);
} }
else BO_pi = C34 = 0.0; else BO_pi = C34 = 0.0;
if (paramssing(itype).r_pi2 > 0.0 && paramssing(jtype).r_pi2 > 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); BO_pi2 = exp(C56);
} }
else BO_pi2 = C56 = 0.0; else BO_pi2 = C56 = 0.0;