[cclib-devel] Solution for bug - ID: 2935847

[Daniel M. <drm...@gm...>]

To whom it may concern,

  I submitted the bug report for the GAMESS US parser failing on a job
with numerical frequencies (ID: 2935847) and, after further
investigation, think I have found the source of the error.  Numerical
Hessian jobs do not print IR intensities by default so the parser
fails at this point.  I have fixed this by wrapping the lines
containing the irIntensity array (line 457 in gamessparser.py, rev
797) in a conditional similar to the section on Raman intensities.
However, I don't know that this would be a robust fix so I am not
submitting a formal patch.  Hopefully this can be dealt with in the
next release.

I hope that this is helpful.  In case no one has said so, cclib is a
very useful tool and you should be congratulated on your efforts.
Regards,

Dan Matusek