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  • in pseudo and cutoff we introduce the naming LegacyStructureData for th orm.StructureData.
  • two additional tests, triggered only when we have atomistic installed (HA is True).

Improving conditionals logic for has_atomistic

try to load the entry point atomistic.structure,
otherwise we fallback into LegacyStructureData (MissingEntryPointError).

Adding support also in case no kinds are defined.

- in pseudo and cutoff we introduce the naming `LegacyStructureData` for th `orm.StructureData`.
- two additional tests, triggered only when we have atomistic installed (`HA` is `True`).

Improving conditionals logic for has_atomistic

try to load the entry point atomistic.structure,
otherwise we fallback into LegacyStructureData (MissingEntryPointError).

Adding support also in case no kinds are defined.
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