Orbitals in nightly build atom indexing is wrong

Development
1

Bugs item #3124153, was opened at 2010-12-01 02:46
Message generated for change (Tracker Item Submitted) made by nobody
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Category: Commands / Extensions
Group: v 1.2.x
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: Orbitals in nightly build atom indexing is wrong

Initial Comment:
Hi!
I’m so excited to see GAMESS orbitals finally visualized YAY!
It’s great!
Unfortunately there are a couple of bugs:

  1. Most importantly, the orbital coefficients are not properly mapped (atoms get orbital coefficients from other atoms, so the orbitals look very wrong)
  2. All orbitals load, and this is rather slow, also the load bar color on the current mac build is very light grey- hard to see

Also, would be nice to see a SOMO if the molecule has a free spin.

Great work guys and gals, thanks so much!!!

You can respond by visiting:
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