Made orientorder check safer

This commit is contained in:
Aidan Thompson 2020-04-30 21:39:37 -06:00
parent 14322a9907
commit 71159c4af4
1 changed files with 1 additions and 1 deletions

View File

@ -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");
}