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.
TU Delft, Netherlands
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