Unverified Commit 1035dcd4 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix possible bug in compute sna

parent 19ee89fa

src/SNAP/compute_sna_atom.cpp

+1 −1
Original line number Diff line number Diff line
@@ -259,7 +259,7 @@ void ComputeSNAAtom::compute_peratom() 
        int jtype = type[j];

        int jelem = 0;

        if (chemflag)

          int jelem = map[jtype];

          jelem = map[jtype];

        if (rsq < cutsq[itype][jtype] && rsq>1e-20) {

          snaptr->rij[ninside][0] = delx;

          snaptr->rij[ninside][1] = dely;

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