[cclib-devel] g03 problem

[Pavel S. <pav...@gm...>]

The latest  version of cclib (svn).
Gaussian 09 Single point output file works just fine, but same file from 
g03 doesn't.
I console i see
Traceback (most recent call last):
   File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", 
line 250, in fileOpen
     self.open(str(filename))
   File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", 
line 150, in open
     data = parser.parse()
   File 
"/usr/local/lib/python2.7/dist-packages/cclib/parser/logfileparser.py", 
line 221, in parse
     self.extract(inputfile, line)
   File 
"/usr/local/lib/python2.7/dist-packages/cclib/parser/gaussianparser.py", 
line 933, in extract
     temp.append(float(part[j:j+10]))
ValueError: could not convert string to float: (B2)--O

If i change "(B2)--O" to  "O" the it works too.
Unfortunately, molecule very big, so i can't do this for all orbitals :).

Best wishes,

PS.

-- 
Pavlo V. Solntsev
pavlo.solntsev at gmail.com