Update deepmd/pt/model/model/ener_model.py

iProzd · njzjz · web-flow · commit f87c3d35e869 · 2025-07-10T16:12:19.000+08:00
Co-authored-by: Jinzhe Zeng &lt;jinzhe.zeng@rutgers.edu&gt;
Signed-off-by: Duo &lt;50307526+iProzd@users.noreply.github.com&gt;
diff --git a/deepmd/pt/model/model/ener_model.py b/deepmd/pt/model/model/ener_model.py
@@ -62,7 +62,7 @@ def get_observed_type_list(self) -> list[str]:
         )
         bias_mask = torch.gt(torch.abs(out_bias), 1e-6).any(
             dim=-1
-        )  # 1e-6 for stability
+        ).detach().cpu()  # 1e-6 for stability
 
         observed_type_list: list[str] = []
         for i in range(len(type_map)):

Original file line number	Diff line number	Diff line change
`@@ -62,7 +62,7 @@ def get_observed_type_list(self) -> list[str]:`
`62`	`62`	`)`
`63`	`63`	`bias_mask = torch.gt(torch.abs(out_bias), 1e-6).any(`
`64`	`64`	`dim=-1`
`65`		`- ) # 1e-6 for stability`
	`65`	`+ ).detach().cpu() # 1e-6 for stability`
`66`	`66`
`67`	`67`	`observed_type_list: list[str] = []`
`68`	`68`	`for i in range(len(type_map)):`