Bugs item #1756794, was opened at 2007-07-19 05:32
Message generated for change (Comment added) made by langner
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Category: Parsers
Group: None
>Status: Closed
>Resolution: Wont Fix
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
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>Comment By: Karol Langner (langner)
Date: 2012-11-05 13:14
Message:
No point in keeping this open. We cannot fix it without the file anyway.
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