diff --git a/src/ML-SNAP/compute_sna_grid.cpp b/src/ML-SNAP/compute_sna_grid.cpp index 0b0c0674e4..62778a9e83 100644 --- a/src/ML-SNAP/compute_sna_grid.cpp +++ b/src/ML-SNAP/compute_sna_grid.cpp @@ -269,7 +269,7 @@ void ComputeSNAGrid::compute_array() int jelem = 0; if (chemflag) jelem = map[jtype]; - if (rsq < cutsq[jtype][jtype]) { + if (rsq < cutsq[jtype][jtype] && rsq > 1e-20) { snaptr->rij[ninside][0] = delx; snaptr->rij[ninside][1] = dely; snaptr->rij[ninside][2] = delz;