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Readded r=0 check

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This commit is contained in:
Aidan Thompson
2021-07-30 10:01:20 -06:00
parent 6d75912f7a
commit 162868f13c
1 changed files with 1 additions and 1 deletions
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2
src/ML-SNAP/compute_sna_grid.cpp
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@ -269,7 +269,7 @@ void ComputeSNAGrid::compute_array()
int jelem = 0; int jelem = 0;
if (chemflag) if (chemflag)
jelem = map[jtype]; jelem = map[jtype];
if (rsq < cutsq[jtype][jtype]) { if (rsq < cutsq[jtype][jtype] && rsq > 1e-20) {
snaptr->rij[ninside][0] = delx; snaptr->rij[ninside][0] = delx;
snaptr->rij[ninside][1] = dely; snaptr->rij[ninside][1] = dely;
snaptr->rij[ninside][2] = delz; snaptr->rij[ninside][2] = delz;