Correct assignment of head

ACEsuit · Dec 20, 2024 · 157c7b3 · 157c7b3
1 parent 9600ba2
commit 157c7b3
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/mace/data/hdf5_dataset.py b/mace/data/hdf5_dataset.py
@@ -66,8 +66,7 @@ def __getitem__(self, index):
             pbc=unpack_value(subgrp["pbc"][()]),
             cell=unpack_value(subgrp["cell"][()]),
         )
-        if config.head is None:
-            config.head = self.kwargs.get("head")
+        config.head = self.kwargs.get("head", "Default")
         atomic_data = AtomicData.from_config(
             config,
             z_table=self.z_table,