diff --git a/sisl/geometry.py b/sisl/geometry.py index bb85307f30..be2356f86a 100644 --- a/sisl/geometry.py +++ b/sisl/geometry.py @@ -3089,7 +3089,7 @@ def bond_completion(self, nbonds, bond=None, new_bond=None, atom=None, idx=None) -------- >>> g = geom.graphene(orthogonal=True).tile(3, 0).tile(4, 1) >>> g.cell[0] *= 2 - >>> g.bond_completion(3, atom=Atom(1), bond=1.09) + >>> g.bond_completion(3, bond=1.42, new_bond=1.09, atom=Atom(1)) """ if idx is not None: @@ -3111,7 +3111,7 @@ def bond_completion(self, nbonds, bond=None, new_bond=None, atom=None, idx=None) else: ria = 1e-4 + bond idx = self.close(ia, R=(0.1, ria), ret_xyz=True) - # We just need second shell coordinates + # We just need second-shell coordinates xyz = idx[1][1] if len(xyz) == nbonds - 1: # Compute bond vector