Transformation makers and SQS

Open esoteric-ephemera opened this issue 2 months ago • 2 comments

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

Oct 29 '25 20:10 esoteric-ephemera

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.

Oct 29 '25 20:10 utf

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)

Oct 29 '25 20:10 esoteric-ephemera