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Adding support for aiida-atomistic #178

Merged
merged 2 commits into from
Dec 1, 2024
Merged

Adding support for aiida-atomistic #178

merged 2 commits into from
Dec 1, 2024

Commits on Nov 22, 2024

  1. Adding support for aiida-atomistic 

    - 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`).
    @mikibonacci
    mikibonacci committed Nov 22, 2024
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Commits on Nov 29, 2024

  1. Improving conditionals logic for has_atomistic 

    try to load the entry point atomistic.structure,
otherwise we fallback into LegacyStructureData (MissingEntryPointError).
    @mikibonacci
    mikibonacci committed Nov 29, 2024
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