[cclib-devel] [ cclib-Bugs-1756059 ] GAMESS-UK mocoeffs or aooverlaps error

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Bugs item #1756059, was opened at 2007-07-18 13:11
Message generated for change (Comment added) made by baoilleach
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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-UK mocoeffs or aooverlaps error

Initial Comment:
I've just noticed that there's a problem with the Mulliken analysis of GAMESS-UK files. There's either something wrong with the mocoeffs or the aooverlaps parsed from these.

Need to figure out the problem and add a unit test to ensure it doesn't reoccur.

Noel

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>Comment By: Noel O\'Boyle (baoilleach)
Date: 2007-08-09 10:34

Message:
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Originator: YES

Fixed in trunk.

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