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Adding occupancy to py4DSTEM diffraction #538
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Comparing 2 structures with minor occupancy differences: Notebook: (unfinished) |
Just to check so I can make sure I make #534 compatible, occupancy can either be None or 1D list or array with the same len as positions? |
Next steps:
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I have tests set up from the other PR; I'll add them when @sezelt has updated the CIF reader func |
I've added occupancy to the CIF reader and the structure factor calculations but I haven't tested it thoroughly |
Adding occupancy to py4DSTEM diffraction Former-commit-id: 1a494e1
PR adds occupancy to crystal, plotting of structures, kinematical SF calcs.
Still needs to be done:
-add occupancy to dynamical SFs
-read occupancy from cif files