From f87a69b0b078c6cee7e201c47f6c676708fb1916 Mon Sep 17 00:00:00 2001
From: jiahongQian <qianjiahong@huawei.com>
Date: Fri, 10 Sep 2021 09:12:35 +0000
Subject: [PATCH] change npt

---
 MindSPONGE/mindsponge/md/npt.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/MindSPONGE/mindsponge/md/npt.py b/MindSPONGE/mindsponge/md/npt.py
index 9953c02c4..ee6c8b68b 100644
--- a/MindSPONGE/mindsponge/md/npt.py
+++ b/MindSPONGE/mindsponge/md/npt.py
@@ -575,7 +575,7 @@ class NPT(nn.Cell):
                                                                                self.charge,
                                                                                scaler, nl_atom_numbers,
                                                                                nl_atom_serial,
-                                                                               self.lj_a, self.lj_b, self.beta)
+                                                                               self.lj_a, self.lj_b, self.d_beta)
             self.atom_virial += atom_virial
         else:
             lj_force = self.zero_main_force
-- 
Gitee