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Made orientorder check safer

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