Comments (3)
This is almost certainly a bug. I think, for the current algorithms we should probably be using fundamental zone gridding though. It's worth noting that this part of the code is going to orix
fairly soon.
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This section of the code will be rewritten, making these bits work will be one of the key tests that what we've produced does in fact work.
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Closing, as I've deleted this functionality in my local work towards #104
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Related Issues (20)
- Tolerance too high for get_library_entries HOT 3
- Weird behavior DiffractionSimulation.intensities HOT 3
- diffsims is not giving this user the diffraction pattern they were expecting (from MMSE). HOT 5
- get_rotation_from_z_to_direction + calculate_ed_data don't work together for monoclinic (and likely most non-orthonormal) unit cells HOT 15
- Release version 0.5.0 HOT 12
- get_beam_directions_grid() does not sample fundamental region of hexagonal systems HOT 8
- Deprecations to be removed in version 0.6
- Issue with calculating electron diffraction pattern when using CIF with Ni3+ sites HOT 2
- Logo For Diffsims HOT 13
- Redesign of Simulations HOT 12
- 0.6.0 Release HOT 14
- Add in pre-commit CI to automatically use `black` formatting HOT 2
- Structure factor calculation bug HOT 5
- Rotation of ReciprocalLatticeVector throws an error HOT 27
- Exclude test suite from source distribution HOT 4
- Deprecations to be removed in version 0.7
- Invalid-publisher error in publish workflow HOT 5
- conda-forge feedstock build fails due to missing test file
- Allow ions instead of atoms in CIF files HOT 3
- Question about whether it is possible to load a `diffsims.simulations.simulation2d.Simulation2D` object? HOT 1
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