Dear all, I read the discussion on the constraints in the mailing list. For occupancies I now use occA + occB = 1, but this results in A=-7 and B=6. With 12 sites to refine occupancies for, it would be very useful to restrict the occupancies to occ>0.
If I understand correctly, this is not possible now. Do you have suggestions on how I could modify the python code to try to implement that? I know basic python programming, but any 'strategic' help on where in the code to fiddle would be much appreciated. many thanks, Lambert TU Delft, Netherlands _______________________________________________ GSAS-II mailing list GSAS-II@mailman.aps.anl.gov https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
