From 427514e36ea6f9e249fbd30303ab7a0f9c7a1700 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 17 Dec 2021 17:43:32 +0100
Subject: [PATCH] Fixed bug for spherical AOs

---
 resultsFile/Modules/gaussianFile.py | 3 +++
 resultsFile/lib/library.py          | 2 +-
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/resultsFile/Modules/gaussianFile.py b/resultsFile/Modules/gaussianFile.py
index fc4a35a..49ea4c7 100755
--- a/resultsFile/Modules/gaussianFile.py
+++ b/resultsFile/Modules/gaussianFile.py
@@ -566,6 +566,9 @@ class gaussianFile(resultsFile.resultsFileX):
             curatom = 1
             vectors = []
             while pos < end:
+               line = self.text[pos].split()
+               if 'Density' in line:
+                   break
                pos += 1
                if index == 'Natural':
                  syms = [ None for k in range(5) ]
diff --git a/resultsFile/lib/library.py b/resultsFile/lib/library.py
index 25d18e6..a23903d 100755
--- a/resultsFile/lib/library.py
+++ b/resultsFile/lib/library.py
@@ -83,7 +83,7 @@ def get_data(var,txt,pos,type=""):
       pos = self._pos
       if pos is not None:
          line = self.text[pos].split()"""
-   if type is "":
+   if type == "":
      line += """
          self._%(var)s = ' '.join(line[%(pos)s])"""
    else: