diff --git a/src/mdevaluate/distribution.py b/src/mdevaluate/distribution.py index 847d005..3bce0f7 100644 --- a/src/mdevaluate/distribution.py +++ b/src/mdevaluate/distribution.py @@ -182,10 +182,10 @@ def tetrahedral_order( ) # Connection vectors - neighbors_1 -= atoms - neighbors_2 -= atoms - neighbors_3 -= atoms - neighbors_4 -= atoms + neighbors_1 = pbc_diff(neighbors_1, atoms, box=atoms.box) + neighbors_2 = pbc_diff(neighbors_2, atoms, box=atoms.box) + neighbors_3 = pbc_diff(neighbors_3, atoms, box=atoms.box) + neighbors_4 = pbc_diff(neighbors_4, atoms, box=atoms.box) # Normed Connection vectors neighbors_1 /= np.linalg.norm(neighbors_1, axis=-1).reshape(-1, 1)