ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

hide pow behind conditional

Browse Source 
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
Download Patch File Download Diff File Expand all files Collapse all files

6
src/KOKKOS/pair_reaxff_kokkos.cpp
View File

@ -1698,19 +1698,19 @@ void PairReaxFFKokkos<DeviceType>::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;