Simplify and reharmonize crystal vs molecule data types

InfluenceFunctional / MXtalTools

BSD 3-Clause "New" or "Revised" License

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Closed InfluenceFunctional closed 5 months ago

InfluenceFunctional commented 11 months ago

Had made allowances earlier for Z'>1 which are now requiring lots of specific catches to fix.

InfluenceFunctional commented 7 months ago

Partially addressed via concatenation method, but probably needs a full database refactor

InfluenceFunctional commented 5 months ago

done - there was a full database refactor