QTAIM doc/tutorial/example?

Development
1

Hi list,

I plan to port the QTAIM extension to Avogadro 2 in the near future, and
I’m trying to get a feel for how it works / what it does. Is there any
documentation / tutorial / example usage of this extension that I could use
to validate the eventual port? I’m not terribly familiar with AIM theory,
and while I can see that the scene is decorated when I open a wfn file, I’m
not sure what the output means.

Thanks,
Dave

2

On Thu, Oct 17, 2013 at 2:40 PM, David Lonie david.lonie@kitware.com wrote:

I plan to port the QTAIM extension to Avogadro 2 in the near future, and I’m
trying to get a feel for how it works / what it does. Is there any
documentation / tutorial / example usage of this extension that I could use
to validate the eventual port? I’m not terribly familiar with AIM theory,
and while I can see that the scene is decorated when I open a wfn file, I’m
not sure what the output means.

David, I have some example files and we can compare with how it works
in Avogadro 1.

Marcus