Update ener_bind.py

iProzd · Sep 4, 2024 · 9089d2a · 9089d2a
1 parent 05c17c9
commit 9089d2a
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/deepmd/pt/loss/ener_bind.py b/deepmd/pt/loss/ener_bind.py
@@ -404,7 +404,7 @@ def get_loss_single(input_dict_, natoms_, label_):
                 )
             loss_all += atom_norm * (pref_bind * l2_bind_loss)
             rmse_e = l2_bind_loss.sqrt() * atom_norm
-            more_loss_dict["rmse_bind"] = self.display_if_exist(
+            more_loss_dict["rmse_e_bind"] = self.display_if_exist(
                 rmse_e.detach(), find_bind
             )
         return model_pred_dict, loss_all, more_loss_dict