On Thu, Oct 17, 2013 at 2:40 PM, David Lonie <[email protected]> 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

------------------------------------------------------------------------------
October Webinars: Code for Performance
Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from 
the latest Intel processors and coprocessors. See abstracts and register >
http://pubads.g.doubleclick.net/gampad/clk?id=60135031&iu=/4140/ostg.clktrk
_______________________________________________
Avogadro-devel mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

Reply via email to