From 5c2e20af966780a98deaa01919931240e4c7c807 Mon Sep 17 00:00:00 2001
From: Thomas Applencourt <t.applencourt@gmail.com>
Date: Thu, 12 Mar 2015 09:53:52 +0100
Subject: [PATCH] Fix string_to_nb_mo

---
 src/EMSL_local.py | 12 +++++-------
 1 file changed, 5 insertions(+), 7 deletions(-)

diff --git a/src/EMSL_local.py b/src/EMSL_local.py
index fcb85fe..19ab29a 100755
--- a/src/EMSL_local.py
+++ b/src/EMSL_local.py
@@ -76,16 +76,14 @@ def string_to_nb_mo(str_l):
 
     d = {"S": 3,
          "P": 5,
-         "D": 7,
-         "F": 9,
-         "L": 8}
+         "D": 7}
 
     if str_l in d:
         return d[str_l]
-    # ord("G") = 72 and ord("Z") = 87
-    elif 72 <= ord(str_l) <= 87:
-        # orf("G") = 72 and l = 4 so ofset if 68
-        return 2 * (ord(str_l) - 68) + 1
+    # ord("F") = 70 and ord("Z") = 87
+    elif 70 <= ord(str_l) <= 87:
+        # ord("F") = 70 and l = 4 so ofset if 66
+        return 2 * (ord(str_l) - 66) + 1
     else:
         raise BaseException