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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Add options when plotting histograms #21

Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Adds an option for the density of energy and force histograms, to improve comparisons between different sized datasets. Set to false by default for consistency with previous behaviour.

Also adds typing to alpha for consistency, and options for histogram type and edge colour, which can be useful when the histograms have significant overlap.