Skip to content

Commit 7aad196

Browse files
authored
Update utils.py
"skin" variable added in get_connectivity, now moved to the correct place
1 parent 3f2ba37 commit 7aad196

1 file changed

Lines changed: 2 additions & 2 deletions

File tree

‎autoadsorbate/utils.py‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -33,8 +33,8 @@ def get_connectivity(atoms: ase.Atoms, mult:float = 1.335) -> np.ndarray:
3333
Returns:
3434
np.ndarray: The connectivity matrix.
3535
"""
36-
cutoffs = natural_cutoffs(atoms, skin=0, mult=mult)
37-
nl = NeighborList(cutoffs, self_interaction=False, bothways=True)
36+
cutoffs = natural_cutoffs(atoms, mult=mult)
37+
nl = NeighborList(cutoffs, skin=0, self_interaction=False, bothways=True)
3838
nl.update(atoms)
3939

4040
return nl.get_connectivity_matrix(sparse=False)

0 commit comments

Comments
 (0)