[cclib-svn] SF.net SVN: cclib: [50] trunk/src/cclib/parser/gamessparser.py

[<bao...@us...>]

Revision: 50
Author:   baoilleach
Date:     2006-04-03 08:52:28 -0700 (Mon, 03 Apr 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=50&view=rev

Log Message:
-----------
Fixed bug: Forgot to convert scfenergies to floats

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py
Modified: trunk/src/cclib/parser/gamessparser.py
===================================================================
--- trunk/src/cclib/parser/gamessparser.py	2006-04-03 15:48:50 UTC (rev 49)
+++ trunk/src/cclib/parser/gamessparser.py	2006-04-03 15:52:28 UTC (rev 50)
@@ -86,7 +86,7 @@
 #  FINAL ENERGY IS     -379.7594673378 AFTER   9 ITERATIONS
 # ...so take the number after the "IS"
                 temp = line.split()
-                self.scfenergies.append(temp[temp.index("IS")+1])
+                self.scfenergies.append(float(temp[temp.index("IS")+1]))
 
             if line.find("MAXIMUM GRADIENT")>0:
                 if not hasattr(self,"geovalues"):


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