Hi again, On Thu, May 19, 2011 at 4:17 PM, David C. Lonie <[email protected]> wrote: > From: Geoffrey Hutchison <[email protected]> > Subject: Generating Slabs / Surfaces > Date: Thu, 19 May 2011 15:57:43 -0400 >> One of the frequently requested solid-state features in generating >> slabs. You know -- someone wants to do a simulation of a Pt (111) >> surface with an adsorbed molecule. Or better yet, a Pt (211) >> "miscut" or defect surface. > > I started work on this very problem shortly after writing the > crystallography extension, but life got busy before I could finish > it. I believe I took a similar approach to the one you > describe. Unfortunately time is very tight for me right now, and will > continue to be through the end of summer. I will happily put my code > up somewhere public later today in case someone would like to pick > this up -- There are several people who have asked about this, and I > think it would be an excellent feature for Avogadro to have.
I checked on this code last night, and your approach is actually much simpler than what I was trying to do :-) I think I'll just try to wrap this feature up myself since it's mostly finished now. I can also reuse some of the unit cell clipping code for a nice visual preview... Dave ------------------------------------------------------------------------------ What Every C/C++ and Fortran developer Should Know! Read this article and learn how Intel has extended the reach of its next-generation tools to help Windows* and Linux* C/C++ and Fortran developers boost performance applications - including clusters. http://p.sf.net/sfu/intel-dev2devmay _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
