From 71159c4af4b927f01d0d39fd38d86bbcebd74d49 Mon Sep 17 00:00:00 2001 From: Aidan Thompson Date: Thu, 30 Apr 2020 21:39:37 -0600 Subject: [PATCH] Made orientorder check safer --- src/compute_coord_atom.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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"); }