Merge pull request mala-project#601 from RandomDefaultUser/fix_openpm…

…d_lazyloading Fix: Resetting the voxel to None is necessary in a shuffled/unshuffled laz…
RandomDefaultUser · Oct 29, 2024 · 27dec15 · 27dec15
2 parents cb47e22 + 19ffa6a
commit 27dec15
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/mala/targets/target.py b/mala/targets/target.py
@@ -1699,6 +1699,8 @@ def _process_geometry_info(self, mesh):
         if "angles" in mesh.attributes:
             angles = mesh.get_attribute("angles")
             self.voxel = ase.cell.Cell.new(cell=spacing + angles)
+        else:
+            self.voxel = None
 
     def _get_atoms(self):
         return self.atoms