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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define separated jit and normal kernels in order to reduce compilation time

hghcomphys opened this issue · comments

As it's recommended, by the JAX's documentation, to call jax.jit on the big function.
This reduces compilation time and allowing better optimization done by the compiler.