Hi Brian
Aren't hard limits useful during structure "solution"? They might reduce
the size of search space and increase the radius of convergence.
Cheers,
Jon
In any case, a constraint would serve to hide that something is wrong
with your result. A restraint would make it harder to do that, but still
is not addressing the problem.
Brian
On Nov 19, 2019, at 10:17 AM, Hao Liu via GSAS-II <[email protected]
<mailto:[email protected]>> wrote:
Hi,
Is there a way to constrain the atomic occupancy to be non-negative?
Thanks,
Hao
--
Hao Liu, Ph.D.
Assistant Professor
Chemistry Department, Binghamton University
4400 Vestal Parkway East, NY 13902
Tel: +1 (607) 777-4671
Group website <http://chemiris.chem.binghamton.edu/LIU/liu.html>
_______________________________________________
GSAS-II mailing list
[email protected] <mailto:[email protected]>
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
_______________________________________________
GSAS-II mailing list
[email protected]
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
_______________________________________________
GSAS-II mailing list
[email protected]
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
