Page 1 of 1
Voronoi option
Posted: Mon Oct 17, 2016 4:35 pm
by Daniel
Is there a specific reference for Voronoi analysis used in this code? Thank you very much.
Re: Voronoi option
Posted: Mon Oct 17, 2016 10:37 pm
by graeme
No; it's a trivial sanity check part of the code.
Re: Voronoi option
Posted: Tue Oct 18, 2016 12:04 am
by Daniel
Dear Sir
So I assume there is no individual atomic scaling is used. Thank you very much for the quick reply.
Re: Voronoi option
Posted: Tue Oct 18, 2016 12:08 am
by graeme
That's exactly right and also why it is of very limited use. It would be qualitatively better to scale the distance to each atom by some standard atomic radii.