fix tiny molecule bug

MaterSim · Oct 24, 2024 · c5af064 · c5af064
1 parent f1e222f
commit c5af064
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/pyxtal/molecule.py b/pyxtal/molecule.py
@@ -1674,7 +1674,10 @@ def change_orientation(self, angle="random", flip=False, update=True):
             if update:
                 self.r = r
                 self.matrix = matrix
-        return matrix
+            return matrix
+        else:
+            return self.matrix
+
 
     def set_axis(self):
         if self.degrees == 2: