From 89df0f2ffc8ed950eba18ab83a1ba71789ce7c51 Mon Sep 17 00:00:00 2001
From: Yu Liu <77716030+YuLiu98@users.noreply.github.com>
Date: Sat, 14 Dec 2024 09:14:02 +0800
Subject: [PATCH] Fix: update kinetic energy when all atoms are fixed (#5729)

* Fix: update kinetic energy when all atoms are fixed

* fix wrong order
---
 source/module_md/md_func.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/source/module_md/md_func.cpp b/source/module_md/md_func.cpp
index 3d40ca3f7e..07bc1f03f2 100644
--- a/source/module_md/md_func.cpp
+++ b/source/module_md/md_func.cpp
@@ -453,6 +453,7 @@ double current_temp(double& kinetic,
 {
     if (3 * natom == frozen_freedom)
     {
+        kinetic = 0.0;
         return 0.0;
     }
     else