From 3c09d46cad5152d88c2364141bfa6f6abbf12c2c Mon Sep 17 00:00:00 2001
From: zhenyu <76582286+wangzyphysics@users.noreply.github.com>
Date: Tue, 26 Mar 2024 08:26:37 +0800
Subject: [PATCH] fix:  natom error in calc_model_devi (#3597)

#3596
---
 deepmd/infer/model_devi.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/deepmd/infer/model_devi.py b/deepmd/infer/model_devi.py
index c214e39e92..a37dfd34c5 100644
--- a/deepmd/infer/model_devi.py
+++ b/deepmd/infer/model_devi.py
@@ -303,7 +303,7 @@ def calc_model_devi(
     energies = []
     forces = []
     virials = []
-    natom = atype.shape[-1]
+    natom = np.array(atype).shape[-1]
     for dp in models:
         ret = dp.eval(
             coord,