From 839bc0448697f9df8a167c90ce4f5d523f64c8f4 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Tue, 29 Jun 2021 00:41:32 -0400
Subject: [PATCH] `box.npy` is not necessary for nopbc

---
 deepmd/utils/data.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/deepmd/utils/data.py b/deepmd/utils/data.py
index c75e312ad1..fa488f8a33 100644
--- a/deepmd/utils/data.py
+++ b/deepmd/utils/data.py
@@ -72,7 +72,7 @@ def __init__ (self,
                 self.train_dirs = self.dirs[:-1]
         self.data_dict = {}        
         # add box and coord
-        self.add('box', 9, must = True)
+        self.add('box', 9, must = self.pbc)
         self.add('coord', 3, atomic = True, must = True)
         # set counters
         self.set_count = 0