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Output guide#

Your bespoke force field will be available at <your fitting directory>/training_iteration_<n>/bespoke_ff.offxml>, where n is the number of iterations you requested.

Plots showing the changes in parameters and energy/ force errors will be generated in <your fitting directory>/plots. It's worth checking that these look reasonable (new parameters are reasonable, validation loss decreases).

For more details on the outputs, see the API reference for the OutputType enum.