hghcomphys / pantea

A Python library for developing machine learning interatomic potentials, based on Google JAX.

Home Page:https://pantea.readthedocs.io

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read potential settings also from an input dictionary

hghcomphys opened this issue · comments

This provides a generic way of initializing potentials in Python.
Also JSON can be added.

This is implemented by using pydantic.
The potential settings (or any subclass of configuratoin) can be now initialized from explicit input arguments or a dictionary keywords.