supercell renamed supercell_size

ORNL · Mar 15, 2024 · e629c14 · e629c14
1 parent c07aaf2
commit e629c14
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/open_catalyst_2020/utils/atoms_to_graphs.py b/examples/open_catalyst_2020/utils/atoms_to_graphs.py
@@ -89,7 +89,7 @@ def convert(
 
         # put the minimum data in torch geometric data object
         data = Data(
-            supercell=cell,
+            supercell_size=cell,
             pos=positions,
             atomic_numbers=atomic_numbers,
             natoms=natoms,