[cclib-svn] SF.net SVN: cclib: [85] trunk/src/cclib/parser/adfparser.py

[<ate...@us...>]

Revision: 85
Author:   atenderholt
Date:     2006-04-23 15:39:20 -0700 (Sun, 23 Apr 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=85&view=rev

Log Message:
-----------
Parse number of basis functions (i.e. SFOs)

Modified Paths:
--------------
    trunk/src/cclib/parser/adfparser.py
Modified: trunk/src/cclib/parser/adfparser.py
===================================================================
--- trunk/src/cclib/parser/adfparser.py	2006-04-22 18:17:31 UTC (rev 84)
+++ trunk/src/cclib/parser/adfparser.py	2006-04-23 22:39:20 UTC (rev 85)
@@ -539,6 +539,12 @@
                 self.nbasis=len(self.aonames)
                 self.logger.info("Creating attribute nbasis: %d" % self.nbasis)
                   
+            if line[1:49]=="Total nr. of (C)SFOs (summation over all irreps)":
+#Extract the number of basis sets              
+              self.nbasis=int(line.split()[-1])
+              self.logger.info("Creating attribute nbasis: %d" % self.nbasis)
+              
+                  
 #             if line[1:7]=="NBasis" or line[4:10]=="NBasis":
 # # Extract the number of basis sets
 #                 nbasis = int(line.split('=')[1].split()[0])


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