[cclib-devel] [ cclib-Bugs-2738818 ] Gaussian: atomcoords problem with nosymm

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Bugs item #2738818, was opened at 2009-04-07 00:27
Message generated for change (Tracker Item Submitted) made by langner
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Category: Parsers
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Karol Langner (langner)
Assigned to: Karol Langner (langner)
Summary: Gaussian: atomcoords problem with nosymm

Initial Comment:
Gaussian does not print standard orientation when the nosymm option is given. Since the parser currently uses standard orientation and only falls back on a single input orientation when it is not found, atomcoords are not the proper dimensions in geometry optimizations that use nosymm.

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You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=819222&aid=2738818&group_id=161285