[Ifeffit] ATOM and GDS

Sin Yuen Chang sinyuen.chang at postgrad.manchester.ac.uk
Tue Jul 15 12:27:50 CDT 2014


Hi Dien Li,

I had the same problem with ATOM in Demeter version 0.9.18 used in Windows 7, the "Add a site" icon doesn't work for me for some reasons.

To add another row of atomic coordinate, what works for me is:

1.       right click on any space on the table of atomic coordinate.

2.       choose "Copy site"

3.       right click again

4.       choose "Paste site"

[cid:image001.png at 01CFA05A.7CE0C5C0]

Hope this helps,
Sin Yuen
--
Sin Yuen, Chang
PhD Student, School of Chemical Engineering and Analytical Science, The University of Manchester, M13 9PL Manchester.

From: ifeffit-bounces at millenia.cars.aps.anl.gov [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Dien.Li at srs.gov
Sent: 14 July 2014 21:26
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] ATOM and GDS

HI, Bruce and Matt

For the Demeter version I am using, I found that I could just enter 8 atoms in ATOM, and define 12 variables in GDS. Could I enter more atoms in ATOMS, and define more variables in GDS? and How? Thanks.


Dien Li, Ph.D.
Environmental Sciences and Biotechnology
Savannah River National Laboratory
Aiken, South Carolina, 29808
Tel: 803-725-7520
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