Re: [Ifeffit] error in ATOMS

Yep! I would like to thank everyone who extended their help. And hopefully soon feff8 (if this offers more sophistication than feff6) will be incorporated to ATOMS :) Thank you, Bruce. Julius On Thu, Dec 12, 2013 at 7:46 AM, Bruce Ravel wrote:

Hi Julius,

Your original email from last month came while I was on travel. Happily someone else helped you get over the immediate problem, so this issue has been languishing on my back burner. I finally got around to looking at it this morning.

The next release of the software will fix both of the problems you observed:

1. The "add a site" button was broken and should work in the next release.

2. The problem you had with your original crystal data will still happen. Robert's solution was the correct one. In the next release, a situation like yours will fail more gracefully and Artemis will issue a (hopefully) useful error message.

Thanks for reporting your problems to the mailing list. It really helps make the software better.

I should also point out what an excellent advertisement for the mailing list your original email was. I was out of the country and unavailable, so it's a good thing you didn't try to contact me directly. Because you used the mailing list, someone else was able to help you. That's a system t hat works!

B

On 11/13/2013 12:19 PM, Julius Campecino 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 mailto:jcampecino@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 mailto:patridge@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 tel:716-829-8096 Email:_patridgc@dyc.edu mailto:patridgc@dyc.edu_

On Nov 10, 2013, at 1:26 PM, Julius Campecino mailto:jcampecino@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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov mailto:Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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