[Epic] Bragg Scattering

[trisyoungs]

Focus

Bring the (already present) Bragg scattering calculation back in line with the rest of the code.

Tasks

• [ ] #276 CIF Import
• [ ] #666 Blend Bragg / Diffuse Interface Region
• [ ] #673 Convolution function for Bragg scattering
• [ ] #674 Debye-Waller broadening of Bragg peaks
• [ ] #675 Lorentzian peak shape

To-Do

• [x] Update module GUI
• [x] Store AtomType information in restart file
• [x] Modernise relevant classes
• [ ] Bragg g(r)
• [x] Add basic system test for intensity data
• [x] Add neutron system test
• [x] Implement / check broadening function consistent with EPSR
• [x] ~Blending of intermediate region~ (move to separate issue)

[github-actions[bot]]

EpicBot closed this Epic as all tasks are complete.

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EpicBot refreshed the title for task #276.

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EpicBot refreshed the title for task #276.

[github-actions[bot]]

EpicBot refreshed the title for task #666.

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EpicBot refreshed the title for task #673.

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EpicBot refreshed the title for task #674.

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EpicBot refreshed the title for task #675.