[cclib-users] Fix (kludge?) for vibdisps and Gaussian 09 .out files

[Jim P. <jim...@gm...>]

I was unable to parse my Gaussian 09 files for normal mode info.  The
parser skipped that part of the file.  I checked the code and replaced
the following in gaussianparser.py (release version 1.0)

Line 579
if line[1:29] == "Atom  AN      X      Y      Z":

with--

vibdispre = re.compile('^Atom  AN      X      Y      Z')
if vibdispre.search(line.strip()):

Apparently there is an extra space in the Gaussian 09 files which is
causing the previous version to fail.  I believe this will work for
versions 03 & 09 of Gaussian.

Cheers,
--Jim Parker