[Ifeffit] error in ATOMS
Christopher Patridge
patridge at buffalo.edu
Wed Nov 13 11:23:13 CST 2013
Julius,
I again did not find answer to the error but you could also try the following entity of ATOMS on the web which easily allows a huge number of sites
http://cars9.uchicago.edu/cgi-bin/atoms/atoms.cgi
Chris
********************************************
Dr. Christopher Patridge
Assistant Professor of Chemistry
Dept of Math and Natural Science
D'youville College
320 Porter Ave., Buffalo, NY 14201
Phone: 716-829-8096
Email: patridgc at dyc.edu
On Nov 13, 2013, at 12:19 PM, Julius Campecino <jcampecino at gmail.com> wrote:
> Hi everyone,
>
> Did anyone figure out how to fix "Can't call method tag" error and adding sites? Really a novice on fitting and I badly need help on this to get going. Sorry to bother everyone.
>
> Thanks!
>
> Julius
>
>
> On Mon, Nov 11, 2013 at 8:48 AM, Julius Campecino <jcampecino at gmail.com> wrote:
> Hi Chris,
>
> Yeah, I did try "add a site" but it is not responding. Does anyone else experience this problem? Thank you, Chris.
>
> Julius
>
>
> On Mon, Nov 11, 2013 at 9:51 AM, Christopher Patridge <patridge at buffalo.edu> wrote:
> Julius,
>
> While I am not certain what the error means, there is a button displayed right above the atom list which says "ADD A SITE." I would suggest that having a unit cell as large as you do, along with rather weak scatterers such as N, C, O, and I assume H, it is probably unnecessary to have sites beyond the 3rd shell or so since these contribute negligibly to the EXAFS.
>
> Chris
>
> ********************************************
> Dr. Christopher Patridge
> Assistant Professor of Chemistry
> Dept of Math and Natural Science
> D'youville College
> 320 Porter Ave., Buffalo, NY 14201
> Phone: 716-829-8096
> Email: patridgc at dyc.edu
>
>
>
> On Nov 10, 2013, at 1:26 PM, Julius Campecino <jcampecino at gmail.com> wrote:
>
>> Hi Bruce,
>>
>> Here's the screen shot of my work in ATOMS. It's supposed to be more than 7 atoms in the core column but that's also one thing I do not know how to add change and add more atoms.
>>
>> When I click "Run Atoms", it gives me this error "Can't call method "tag" on an undefined value at C:/strawberry/perl/site/lib/Demeter/Atoms.pm line 668.'' I am using the recent version 0.9.18.2 of the Demeter installer.
>>
>> Thank you for your help!
>>
>> Julius
>> <Atoms.png>_______________________________________________
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>
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