From cf91b8d52c89414d3db6cb5b7d47e945e1127d6e Mon Sep 17 00:00:00 2001
From: Yifan Li <yifanl0716@gmail.com>
Date: Sun, 10 Sep 2023 10:38:35 -0400
Subject: [PATCH] fix duplicate xener_unit_cvt_factor

---
 source/lmp/pair_deepmd.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp
index 5923f20d33..f9616dd1e3 100644
--- a/source/lmp/pair_deepmd.cpp
+++ b/source/lmp/pair_deepmd.cpp
@@ -1192,7 +1192,7 @@ void PairDeepMD::coeff(int narg, char **arg) {
   for (int i = ilo; i <= ihi; i++) {
     for (int j = MAX(jlo, i); j <= jhi; j++) {
       setflag[i][j] = 1;
-      scale[i][j] = 1.0 * ener_unit_cvt_factor;
+      scale[i][j] = 1.0;
       if (i > numb_types || j > numb_types) {
         char warning_msg[1024];
         sprintf(warning_msg,