done.
load xxx.xxx FILTER "NBOcharges"
or, with the NBOs:
load xxx.xxx FILTER "NBO;NBOcharges"
On Mon, Apr 13, 2009 at 10:40 AM, Xavier Prat-Resina
<[email protected]>wrote:
> Bob,
>
> when applying the NBO filter, would it be possible to display NBO charges
> instead of mulliken?
>
> Natural Population
> | Natural ---------------------------------------------
> Atom No Charge Core Valence Rydberg Total
> --------------------------------------------------------------------
> S 1 2.57261 9.99930 3.21446 0.21363 13.42739
>
>
>
> Xavier
>
>
> On Sat, Apr 11, 2009 at 7:40 PM, Robert Hanson <[email protected]> wrote:
>
>> Jmol users --
>>
>> Jmol now displays NBOs in GAMESS and Gaussian if the NBO "AONBO" option is
>> included.
>>
>> See examples at http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
>>
>> If people can find me examples of output for QChem, I can try them as
>> well. The version at that site might even work with QChem already; I don't
>> know.
>>
>> Bob
>>
>> --
>> 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
>>
>>
>> ------------------------------------------------------------------------------
>> This SF.net email is sponsored by:
>> High Quality Requirements in a Collaborative Environment.
>> Download a free trial of Rational Requirements Composer Now!
>> http://p.sf.net/sfu/www-ibm-com
>> _______________________________________________
>> Jmol-users mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> --
> Xavier Prat-Resina
> Research Associate
> Journal of Chemical Education and University of Wisconsin
> 209 N. Brooks St. Madison, WI 53715-1116
>
> Tel: 608 8901702 // Fax: 608 2627145
> e-mail: xavier ( ) chem.wisc.edu ; skype: xavierprat
> http://x.prat.resina.googlepages.com
>
>
> ------------------------------------------------------------------------------
> This SF.net email is sponsored by:
> High Quality Requirements in a Collaborative Environment.
> Download a free trial of Rational Requirements Composer Now!
> http://p.sf.net/sfu/www-ibm-com
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
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
------------------------------------------------------------------------------
This SF.net email is sponsored by:
High Quality Requirements in a Collaborative Environment.
Download a free trial of Rational Requirements Composer Now!
http://p.sf.net/sfu/www-ibm-com
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
