Avogadro / Old Bugs / #505 Gamess Input file Basis Set wrong

#505 Gamess Input file Basis Set wrong

Milestone: v_1.0.2

Status: closed

Owner: Marcus D. Hanwell

Labels: Commands / Extensions (96)

Priority: 5

Updated: 2012-09-12

Created: 2010-11-13

Creator: Anonymous

Private: No

In the "Advanced Setup" tab of GAMESS Input generator the Basis Set drop down menu returns wrong names for $BASIS.
I'm attaching a screen shot of the window. Notice the Basis Set selected is Triple Zeta Valence, but in the input file $BASIS GBASIS=BC $END. several other basis sets are mismatched like that.
thanks :)

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Nobody/Anonymous - 2010-11-13

basis set mismatch

Screen shot 2010-11-12 at 9.35.13 PM.png

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Marcus D. Hanwell - 2011-01-29

We were actually missing the Binning/Curtis DZ entry in the combo. See http://review.source.kitware.com/794 for a proposed change. I will

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Marcus D. Hanwell - 2011-01-31

Merged into master and 1.0.

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Gamess Input file Basis Set wrong

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#505 Gamess Input file Basis Set wrong

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