bugfix in mace-initial-model.py

BAMeScience · Mar 2, 2025 · fe36bd1 · fe36bd1
1 parent 1579fb3
commit fe36bd1
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/resources/models/mace/mace-initial-model.py b/resources/models/mace/mace-initial-model.py
@@ -41,15 +41,15 @@ def get_model(args: argparse.Namespace):
 
     heads = list(args.heads.keys())
 
-    z_table, atomic_energies, r_max, args.mean, args.std = get_statistics()
+    atomic_numbers, atomic_energies, args.r_max, args.mean, args.std = get_statistics()
 
     model, output_args = configure_model(
         args,
         None,
         atomic_energies,
         model_foundation=None,
         heads=heads,
-        z_table=AtomicNumberTable(z_table),
+        z_table=AtomicNumberTable(atomic_numbers),
     )
 
     torch.save(model, 'mace-initial.model')