[cclib-devel] ADF output error again

[Nuno A. G. B. <nun...@is...>]

Hi,

Some months ago I'd emailed the development team sending some sample ADF
outputs to improve cclib operability. Have they been used ? I don't see
them on the present cclib distribution.

Also I got this error message when running a simple ADF example file:


    File "PyMOlyze", line 28, in ?
    File "pymolyze\pymolyze.pyc", line 140, in open
    File "cclib\parser\adfparser.pyc", line 728, in parse
IndexError: invalid index

The file is attached.

Also spin orbit runs give another error message:

Traceback (most recent call last):
    File "PyMOlyze", line 28, in ?
    File "pymolyze\pymolyze.pyc", line 140, in open
    File "cclib\parser\adfparser.pyc", line 555, in parse
IndexError: list index out of range

Any help would be appreciated. If you'd like more input files I can 
provide as many as you wish.

Regards,

-- 
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--