Merge pull request #74 from chrisjonesBSU/fix-lattice

Fix translation in `Lattice`
cmelab · Oct 10, 2023 · aeb45d5 · aeb45d5
2 parents dbc5b80 + 88d4958
commit aeb45d5
Showing 1 changed file with 3 additions and 1 deletion.
diff --git 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