[cclib-users] Orca 2.9.0 error

[msmqbm <ms...@ci...>]

Dear cclib developers,
When trying to parse an Orca 2.9.0 output file I get the following error:

 >>> import cclib
 >>> f1= cclib.parser.ORCA("DAT6600.out")
 >>> data1= f1.parse()
[ORCA DAT6600.out INFO] Creating attribute atomcoords[]
[ORCA DAT6600.out INFO] Creating attribute atomnos[]
[ORCA DAT6600.out INFO] Creating attribute natom: 9
[ORCA DAT6600.out INFO] Creating attribute nbasis: 90
[ORCA DAT6600.out INFO] Creating attribute charge: 0
[ORCA DAT6600.out INFO] Creating attribute mult: 1
[ORCA DAT6600.out INFO] Creating attribute scfvalues[]
Traceback (most recent call last):
   File "<stdin>", line 1, in <module>
   File 
"/usr/lib/python2.7/dist-packages/cclib/parser/logfileparser.py", line 
221, in parse
     self.extract(inputfile, line)
   File "/usr/lib/python2.7/dist-packages/cclib/parser/orcaparser.py", 
line 90, in extract
     assert line[1] == "Energy"
AssertionError

I'm using cclib version 1.1 (the latest one). I attach the file 
DAT6600.out.

Is there a solution to this?

Thanks in advance,

-- 
Melchor Sánchez
PhD candidate
Institute of Advanced Chemistry of Catalonia
http://www.iqac.csic.es/qteor
IQAC - CSIC
Tel. +34 934006100 ext: 1307
Jordi Girona 18-26
08034 Barcelona (Spain)