fix interaction_first for density

ACEsuit · Nov 22, 2024 · f3c0939 · f3c0939
1 parent 2f9a3a5
commit f3c0939
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/mace/tools/model_script_utils.py b/mace/tools/model_script_utils.py
@@ -146,6 +146,11 @@ def _build_model(
     args, model_config, model_config_foundation, heads
 ):  # pylint: disable=too-many-return-statements
     if args.model == "MACE":
+        if args.interaction_first not in [
+            "RealAgnosticInteractionBlock",
+            "RealAgnosticDensityInteractionBlock",
+        ]:
+            args.interaction_first = "RealAgnosticInteractionBlock"
         return modules.ScaleShiftMACE(
             **model_config,
             pair_repulsion=args.pair_repulsion,