diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 084968806e..4a96c29a24 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -141,7 +141,7 @@ void ComputeCoordAtom::init() l = c_orientorder->qlcomp; // communicate real and imaginary 2*l+1 components of the normalized vector comm_forward = 2*(2*l+1); - if (c_orientorder->iqlcomp < 0) + if (!(c_orientorder->qlcompflag)) error->all(FLERR,"Compute coord/atom requires components " "option in compute orientorder/atom"); }