The orientation change was necessary to align the CUBE data with the
hexagonal model you provided.
I'll look at these later today.
Bob
ps - I've removed the directories and added those files to the main
directory -- none of the other test directories have nested directories, and
it might throw off the test suite.
On Fri, Sep 10, 2010 at 5:38 AM, P.Canepa <[email protected]> wrote:
> Dear All, Bob
>
> We had recently spoken about CUBE files with periodicity, I still have a
> problem in overlapping correctly my map on the crystal structure. The case I
> am talking about is the rombohedral Fe2O3.
> Particularly in the last change you (Bob), did into the CUBE class, you
> applied a default rotation to the rombohedral- hexagonal systems which to
> be honest I didn't understand. Why did you ?
>
> I upload one directory (CUBE_CRYSTAL) into the crystal files with a couple
> of examples of cube files. One of this is MgO which works nicely the other
> is Fe2O3 whit its issues explained above.
>
>
> Second problem. thanks Angel but I haven't figured out a possible
> solution.
>
> Further setting set drawHover = TRUE I cannot see the value anywhere. Is
> there something I miss or I am doing wrong ?
>
> Thanks a lot, Piero
>
>
> --
> Please consider the environment before printing this e-mail.
>
> 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
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
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phone: 507-786-3107
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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Optimize IT performance and efficiency through flexible, powerful,
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