stfc / janus-core

Tools for machine learnt interatomic potentials
https://stfc.github.io/janus-core/
BSD 3-Clause "New" or "Revised" License
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Delete duplicate struct from CLI summary #244

Closed ElliottKasoar closed 1 month ago

ElliottKasoar commented 1 month ago

Resolves #242

Removes "struct" from the inputs dict when saving the CLI summary, as this is exactly what save_struct_calc is designed to do anyway, and if the struct is actually a trajectory, we end up with a duplicate, with binary info printed.