[Jmol-developers] [ jmol-Bugs-783663 ] Some G03 frequency output files won't open

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Bugs item #783663, was opened at 2003-08-05 11:05
Message generated for change (Comment added) made by nobody
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379133&aid=783663&group_id=23629

Category: File Input/Output
Group: v7
Status: Open
Resolution: None
Priority: 5
Submitted By: Eric Patterson (epatters)
Assigned to: Nobody/Anonymous (nobody)
Summary: Some G03 frequency output files won't open

Initial Comment:
I have noticed that Gaussian 03 frequency output files that 
lack Raman data do not open using Jmol v7.  This is 
somewhat problematic since Raman activites are not 
computed by default using most levels of theory.  Ouput 
files that contain Raman data are opened.  This bug should 
be easily reproduced using the following keywords (I am 
using G03 version B.4 under Mac OS 10.2.6, and the latest 
download of Jmol).

Job that will fail to open:
# b3lyp sto-3g opt freq

Job that will open:
# b3lyp sto-3g opt freq=raman



Thank you for your attention to this issue.

 - Eric


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Comment By: Nobody/Anonymous (nobody)
Date: 2003-08-05 13:32

Message:
Logged In: NO 

Eric,

There is a problem in the Gaussian 03 reader.  I originally
created the Gaussian 03 reader, but have been too busy
lately to make the changes.  Hopefully I can fix this bug
soon, or, if one of the other jmol developers who also uses
G03 wants to contact me, I explain the bug and what needs to
be fixed.

-- Jon Rienstra-Kiracofe

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You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379133&aid=783663&group_id=23629