Yes, is that the problem I just fixed for mgo_slab.out? I'll take a look.
On Mon, Mar 22, 2010 at 11:24 AM, P.Canepa <[email protected]> wrote:
>
> Dear Bob,
>
> I forgot a very important thing about the CRYSTAL reader! In CRYSTAL, SLAB
> or POLYMER systems can be generated reducing the periodicity of an initial
> crystal solid with 3D!
> Our Jmol reader doesn't have this option and therefore it makes mistake
> reading these files! I uploaded an example called as : Pb_10_fullopt.out!
> Can you have a look? You will see the crystal being catted along one miller
> plane winch represents the final surface!
>
> Do you think is it possible to add this features! would this mean to
> change a bit the header method part of our reader?
> --
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: [email protected]
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
>
> ------------------------------------------------------------------------------
> Download Intel® Parallel Studio Eval
> Try the new software tools for yourself. Speed compiling, find bugs
> proactively, and fine-tune applications for parallel performance.
> See why Intel Parallel Studio got high marks during beta.
> http://p.sf.net/sfu/intel-sw-dev
> _______________________________________________
> Jmol-developers mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-developers
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
