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

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