diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index 34d11f9ac1..c278ccc520 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -256,6 +256,7 @@ void ComputeOrientOrderAtom::compute_peratom() double **x = atom->x; int *mask = atom->mask; + memset(&qnarray[0][0],0,nmax*ncol*sizeof(double)); for (ii = 0; ii < inum; ii++) { i = ilist[ii]; @@ -318,7 +319,6 @@ void ComputeOrientOrderAtom::compute_peratom() } calc_boop(rlist, ncount, qn, qlist, nqlist); - } } }