revert dtype change for pytorch

CederGroupHub · Sep 11, 2024 · d628068 · d628068
1 parent cc1f833
commit d628068
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/chgnet/model/composition_model.py b/chgnet/model/composition_model.py
@@ -146,7 +146,7 @@ def fit(
             if isinstance(structure, Structure):
                 atomic_number = torch.tensor(
                     [site.specie.Z for site in structure],
-                    dtype=np.int64,
+                    dtype=int,
                     requires_grad=False,
                 )
             else: