From 7b56222913e0a1b655da03a0ec20a04deb4f93b3 Mon Sep 17 00:00:00 2001
From: lopa <pardini@physik.hu-berlin.de>
Date: Thu, 13 Oct 2016 18:44:20 +0200
Subject: [PATCH] fixed bug with energy_total

---
 parser/parser-elk/parser_elk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/parser/parser-elk/parser_elk.py b/parser/parser-elk/parser_elk.py
index 6c26cd8..3511c8c 100644
--- a/parser/parser-elk/parser_elk.py
+++ b/parser/parser-elk/parser_elk.py
@@ -128,7 +128,7 @@ class ElkContext(object):
 
     def onClose_section_scf_iteration(self, backend, gIndex, section):
       Etot = section["energy_total_scf_iteration"]
-      backend.addValue("energy_total", Etot)
+      backend.addValue("energy_total", Etot[-1])
 
 # description of the input
 mainFileDescription = \
-- 
GitLab