Oh, you mean somehow tell it to display multiples of the unit cell instead of the unit cell itself. Yes, I see how that could be useful especially in the case of primitive unit cells.

Are we talking just about the display of the unit cell itself, or about the coordinates and all? In other words, do you really want it to display different values for a, b, and c? Do you want {atomno=3}.fxyz and/or {atomno=3}.uxyz to change?

Bob

On Mon, Sep 20, 2010 at 1:56 PM, P.Canepa <pc229@kent.ac.uk> wrote:
It doesn't  the cell parameters are always the same as in the {1 1 1}!for instance  if my a in the 1 1 1 is 5 in the 2 1 1 has to become 10.
I thinks it should be an extra option as user may just want to expand the cell without making the supercell, keeping the original cell parameters.

Thanks, Piero
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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: pc229@kent.ac.uk
mobile: +44 (0) 7772-9756456
-----------------------------------------------------------
________________________________________
From: Robert Hanson [hansonr@stolaf.edu]
Sent: Friday, September 17, 2010 5:01 PM
To: jmol-developers@lists.sourceforge.net
Subject: Re: [Jmol-developers] supercell option

load "" {2 2 2}

works just fine, right?

Bob

On Fri, Sep 17, 2010 at 2:04 AM, P.Canepa <pc229@kent.ac.uk<mailto:pc229@kent.ac.uk>> wrote:
Dear all,
could be possible to add an option to re-set the dimensions of the cell once you the original cell is manipulated?

For instance load "" { 2 2 2} ; the command could be setSupercell ?

So then when the structure is esported both the coordinate and the cell parameters are correctely exported.

Thanks, 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: pc229@kent.ac.uk<mailto:pc229@kent.ac.uk>
mobile: +44 (0) 7772-9756456
-----------------------------------------------------------

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Robert M. Hanson
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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

------------------------------------------------------------------------------
Start uncovering the many advantages of virtual appliances
and start using them to simplify application deployment and
accelerate your shift to cloud computing.
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_______________________________________________
Jmol-developers mailing list
Jmol-developers@lists.sourceforge.net
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--
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