elementari
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Improvements to `moyo-wasm`-powered client-side symmetry analysis
reposting https://github.com/spglib/moyo/pull/108#issuecomment-3213686706 here as todos so they don't get lost. thanks @joonatan-altrove for the excellent suggestions
Some quick thoughts from a crystallographer:
- super nice visuals!
- [ ] Writing the Hermann-Mauguin notation for the space group would be very useful along the space group number (e.g. Fd-3m for space group 227). The number itself is hard to remember, but the HM notation contains all relevant information to get a thought on the space group itself
- [ ] it would probably be worth it to also list the non-symmetric sites in the list (I don't see the Mg atoms in Ac4Mg2, for example). Is that a bug or intended feature?
- [ ] one thing that could be useful is a way to visualise the symmetry elements. For example, visualise the mirror planes / rotational axes. Might be overkill to implement.
- [ ] how are you dealing with disordered / fractionally occupied sites?