update

Chengqian-Zhang · Oct 22, 2024 · 484cfc5 · 484cfc5
1 parent b39a9da
commit 484cfc5
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diff --git a/deepmd/pt/model/atomic_model/base_atomic_model.py b/deepmd/pt/model/atomic_model/base_atomic_model.py
@@ -4,6 +4,7 @@
 import logging
 from typing import (
     Callable,
+    Dict,
     Optional,
     Union,
 )

diff --git a/deepmd/pt/utils/stat.py b/deepmd/pt/utils/stat.py
@@ -375,6 +375,8 @@ def compute_output_stats(
         bias_atom_e, std_atom_e = {}, {}
         for kk in keys:
             # use atomic bias whenever available
+            from IPython import embed
+            embed()
             if kk in bias_atom_a:
                 bias_atom_e[kk] = bias_atom_a[kk]
                 std_atom_e[kk] = std_atom_a[kk]