Bugs item #3055615, was opened at 2010-08-29 22:45
Message generated for change (Comment added) made by baoilleach
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Category: Parsers
Group: None
Status: Closed
Resolution: Fixed
Priority: 5
Private: No
Submitted By: Adam Tenderholt (atenderholt)
Assigned to: Nobody/Anonymous (nobody)
Summary: atomnos not parsed in a g09 calc
Initial Comment:
Cclib trunk r914 does not correctly parse atomnos for a Gaussian 09 calc, although it does parse atomcoords. The input file specifies atoms with Cartesian coordinates while the basic test files use Z-matrices. The problematic file lacks the Input orientation section.
Note that the mocoeffs section has been removed from the file to make it small enough to upload.
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>Comment By: Noel O'Boyle (baoilleach)
Date: 2010-08-30 12:49
Message:
I've fixed the permissions. Let me know if it still doesn't work
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Comment By: Adam Tenderholt (atenderholt)
Date: 2010-08-29 23:53
Message:
Fixed in trunk r. 915.
The problematic file still needs to be added to the data part of the
website so that the regression test passes. I don't have permissions to
create files for some reason.
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