diff --git a/flowermd/base/system.py b/flowermd/base/system.py index 7f156ece..cccfb8ef 100644 --- a/flowermd/base/system.py +++ b/flowermd/base/system.py @@ -769,7 +769,9 @@ def _build_system(self): try: comp1 = self.all_molecules[next_idx] comp2 = self.all_molecules[next_idx + 1] - comp2.translate(self.basis_vector) + comp2.translate( + self.basis_vector * np.array([self.x, self.y, 0]) + ) # TODO: what if comp1 and comp2 have different names? unit_cell = mb.Compound( subcompounds=[comp1, comp2], name=comp1.name