[cclib-devel] [ cclib-Bugs-1756794 ] GAMESS: Raman parsing fails

[SourceForge.net <no...@so...>]

Bugs item #1756794, was opened at 2007-07-19 13:32
Message generated for change (Tracker Item Submitted) made by Item Submitter
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=819222&aid=1756794&group_id=161285

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Noel O\'Boyle (baoilleach)
Assigned to: Nobody/Anonymous (nobody)
Summary: GAMESS: Raman parsing fails

Initial Comment:
Reported by Charlie Bradshaw, but IP issues prevent me looking at the test file.

Dear Noel,

The attached .zip file contains a gamess log with runtype=raman on the
musk ambrette molecule.  GaussSum fails to open the log due to a
parsing error.  According to the documentation IR_raman.py should
handle this.  This log file also crashes Chemcraft, so it may be a
problem with the log.  There were a number of modes with *******
instead of activity where I changed the string of "*" to 0.0.

Best regards,

Charlie

Dr. Charles F. Bradshaw
The MITRE Corporation

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=819222&aid=1756794&group_id=161285