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v0.13.0

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@CasperWA CasperWA released this 08 Jan 00:29
· 170 commits to develop since this release
v0.13.0
3c776ab

Major changes:

  • CifData support (#183).
    AiiDA-OPTIMADE will now serve both StructureData and CifData Nodes from an AiiDA database.
    For now, the CifData Nodes will be converted to StructureData via pymatgen (new dependency) and the OPTIMADE fields are calculated from there. This will result in loading each Node, making the initialization quite slow for CifData Nodes. This will be optimized in the future.

Other updates:

  • Update dependencies, now supporting AiiDA v1.5.2 and OPTIMADE Python tools v0.12.5.
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