update: center of rotation to center of the cell

Exabyte-io · Sep 12, 2024 · 123a845 · 123a845
1 parent b3a47c2
commit 123a845
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/py/mat3ra/made/tools/modify.py b/src/py/mat3ra/made/tools/modify.py
@@ -461,7 +461,7 @@ def rotate_material(material: Material, axis: List[int], angle: float, wrap: boo
         crystal_basis.to_crystal()
         material.basis = crystal_basis
     atoms = to_ase(material)
-    atoms.rotate(v=axis, a=angle, center=(0, 0, 0))
+    atoms.rotate(v=axis, a=angle, center=(0.5, 0.5, 0.5))
     if wrap:
         atoms.wrap()