Add plotting for average ADFs

stfc / janus

collection of scripts to train and generate data for machine learnt interatomic potentials

BSD 3-Clause "New" or "Revised" License

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Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Similar functionality to plot_average_RDFs, but requiring the use of files from nnp-dist, rather than .pkl files, as aml does not calculate ADFs.

Also tidies up a few comments and unused variables.