refactor `pae_ratios.py`

bl1231 / bilbomd-worker

Processes BilboMD jobs and run CHARMM, FoXS, and MultiFoXS

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Closed dsclassen closed 7 months ago

dsclassen commented 8 months ago

and make it match the version in bilbomd-backend

dsclassen commented 7 months ago

As of now pae_ratios.py is identical between bilbomd-backend and bilbomd-worker.

Eventually need to figure out a strategy for having a single version of these Python scripts.... monorepo?