Subject: localization schemes

From: Chas Simpson <[email-masked]>
Date: Tue, 17 Sep 2002 23:07:16 +0200 (SAST)

Hi all,

I've seen in the Gaussian programmers manual that the Boys Localization
scheme is available with the Boyloc routine however I'm a bit stumped how
to actually use it.

Secondly, it doesn't appear that there is any other localization scheme
available in G98. Are there any freely available programs that implement
the  Edmiston-Ruedenberg, von Niessen or Pipek-Mezey schemes? I think
some of these are implemented in GAMESS.....???

Thanks for your help. I will summarize.

Chas
_______________________________________________
Chas Simpson
Computational Chemistry
University of Cape Town
South Africa
e-mail: [email-masked]
http://hydrogen.cem.uct.ac.za/compchem/
_______________________________________________