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>
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