[cclib-svn] SF.net SVN: cclib: [73] trunk/src/cclib/parser/gamessparser.py

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

Revision: 73
Author:   baoilleach
Date:     2006-04-15 02:28:56 -0700 (Sat, 15 Apr 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=73&view=rev

Log Message:
-----------
Added call to normalisesym so that mosyms should now contain the correct symmetries.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py
Modified: trunk/src/cclib/parser/gamessparser.py
===================================================================
--- trunk/src/cclib/parser/gamessparser.py	2006-04-15 09:25:14 UTC (rev 72)
+++ trunk/src/cclib/parser/gamessparser.py	2006-04-15 09:28:56 UTC (rev 73)
@@ -247,7 +247,7 @@
                     line = inputfile.next()
                     self.moenergies[0].extend([convertor(float(x),"hartree","eV") for x in line.split()])
                     line = inputfile.next()
-                    self.mosyms[0].extend(line.split())
+                    self.mosyms[0].extend(map(self.normalisesym,line.split()))
                     for i in range(self.nbasis):
                         line = inputfile.next()
                         if base==0: # Just do this the first time 'round
@@ -284,7 +284,7 @@
                         line = inputfile.next()
                         self.moenergies[1].extend([convertor(float(x),"hartree","eV") for x in line.split()])
                         line = inputfile.next()
-                        self.mosyms[1].extend(line.split())
+                        self.mosyms[1].extend(map(self.normalisesym,line.split()))
                         for i in range(self.nbasis):
                             line = inputfile.next()
                             temp = line[15:] # Strip off the crud at the start


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