diff --git a/mace/cli/run_train.py b/mace/cli/run_train.py index 9b484d7f..7f1a5e74 100644 --- a/mace/cli/run_train.py +++ b/mace/cli/run_train.py @@ -364,7 +364,7 @@ def run(args: argparse.Namespace) -> None: z_table_foundation.z_to_index(z) ].item() for z in z_table.zs - } + } else: atomic_energies_dict[head_config.head_name] = get_atomic_energies(head_config.E0s, None, head_config.z_table) else: