From 59b7d7a58fde795c8dfde940a749fbaaf9d03739 Mon Sep 17 00:00:00 2001
From: rosendo <rosendo.valero@gmail.com>
Date: Tue, 19 Jul 2016 15:33:06 +0200
Subject: [PATCH] Gaussian parser with ground and excited state energies

---
 parser/parser-gaussian/parser_gaussian.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/parser/parser-gaussian/parser_gaussian.py b/parser/parser-gaussian/parser_gaussian.py
index 4020655..9001e46 100644
--- a/parser/parser-gaussian/parser_gaussian.py
+++ b/parser/parser-gaussian/parser_gaussian.py
@@ -491,8 +491,6 @@ class GaussianParserContext(object):
          Check for convergence of geometry optimization.
         """
         # write SCF convergence and reset
-        backend.addValue('x_gaussian_single_configuration_calculation_converged', self.scfConvergence)
-        backend.addValue('energy_total', self.scfenergyconverged[-1])
         backend.addValue('single_configuration_calculation_converged', self.scfConvergence)
         self.scfConvergence = False
         # start with -1 since zeroth iteration is the initialization
-- 
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