diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index 96d4c47678..b4ffd91b43 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -239,7 +239,7 @@ void ComputeHexOrderAtom::compute_peratom() } qn[0] = usum/nnn; qn[1] = vsum/nnn; - } + } else qn[0] = qn[1] = 0.0; } }