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  • Add makers to run pymatgen transformations as a job, with a Transformer class which only needs a transformation as input to run for ~90% of pymatgen transformations
  • Add specific SQS implementation + tests

@esoteric-ephemera esoteric-ephemera force-pushed the sqs branch 2 times, most recently from 6e9f7d8 to d0e5f5d Compare October 29, 2025 20:07
@utf
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utf commented Oct 29, 2025

Just noting the TransmuterMaker in case you weren't already aware.

There is some overlap here the existing class both applies the transformation and then runs a calculation which is more limiting.

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Yep! The idea here was more flexibility like you're saying, specifically for SQS transformations (the output of the SQS transformation in particular is different from the other transformation classes)

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