forked from lijiext/lammps
Made orientorder check safer
This commit is contained in:
parent
14322a9907
commit
71159c4af4
|
@ -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");
|
||||
}
|
||||
|
|
Loading…
Reference in New Issue