From f5a79c6b8bda8738a488df384f148e65d3640db8 Mon Sep 17 00:00:00 2001
From: Berk Onat <b.onat@warwick.ac.uk>
Date: Fri, 8 Dec 2017 14:04:19 +0000
Subject: [PATCH] Add missing natoms definition at failback when heroistic
reading of trajectory without topology info
---
common/python/nomadcore/md_data_access/MDDataAccess.py | 1 +
1 file changed, 1 insertion(+)
diff --git a/common/python/nomadcore/md_data_access/MDDataAccess.py b/common/python/nomadcore/md_data_access/MDDataAccess.py
index d762bc8..36c76b8 100644
--- a/common/python/nomadcore/md_data_access/MDDataAccess.py
+++ b/common/python/nomadcore/md_data_access/MDDataAccess.py
@@ -957,6 +957,7 @@ class MDDataAccess(object):
}
def initialize(self):
+ self.natoms = None
self.topology = None # Main storage for topology data
self.trajectory = None # Main storage for trajectory data
self.forcefield = None # Main storage for force field parameters
--
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