SOMO, LUMO, HOMO orbitals

Bugs item #3202757, was opened at 2011-03-08 08:33
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Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: ()
Assigned to: Nobody/Anonymous (nobody)
Summary: SOMO, LUMO, HOMO orbitals

Initial Comment:
In visualizing orbitals from formated checkpointfiles, Avogadro doesn’t recognize SOMO apart from LUMO. For example, when I read an open shell, lumo is in fact somo, and homo is in fact somo-1 orbital. Is it possible to make a modification as to separate viewing of alpha and beta electrons and to point out where is the border between populated and unpopulated orbitals.
Thank you!

Davor Sakic
MacOSX 10.6. Snow Leopard
Avogadro 1.0.1

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