Merge pull request #1379 from pyiron/1378-fix_get_structure-for-sphinx

changed the generic cells property
pyiron · Apr 17, 2024 · 2df0ae1 · 2df0ae1
2 parents 0602a39 + 6a20796
commit 2df0ae1
Showing 1 changed file with 5 additions and 2 deletions.
diff --git a/pyiron_atomistics/sphinx/base.py b/pyiron_atomistics/sphinx/base.py
@@ -2146,8 +2146,11 @@ def get_last(arr):
             self.generic.energy_pot = self.generic.dft.energy_free
         if "positions" not in self.generic.list_nodes():
             self.generic.positions = np.array([self._job.structure.positions])
-        if "cells" not in self.generic.list_nodes():
-            self.generic.cells = np.array([self._job.structure.cell.tolist()])
+        if (
+            "cells" not in self.generic.list_nodes()
+            and "cell" in self.generic.list_nodes()
+        ):
+            self.generic.cells = self.generic.cell
         self.generic.to_hdf(hdf=hdf)
 
         with hdf.open("output") as hdf5_output: