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Calcellipsoid #3

Description

@BiffoQ

ModuleNotFoundError: No module named 'calcellipsoid'

I am trying to run the CIFellipsoid using the cmd prompt and I got the bug above.

To Reproduce
Run something similar to this in your cmd: CIFellipsoid A013_combined_neutron_xrd_refinement_mod_Gonz_for_BVSE_cube.cif -m "Mo2 Nb2" -r "3" -l "O2-"

Expected behavior
An output file in .txt format

Screenshots and Files
image

Operating system (please complete the following information):

  • OS: Windows
  • Python version: Python 3.10.12
  • PIEFACE version: 1.1.0

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