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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remove jax.jit decorator from small functions/methods

hghcomphys opened this issue · comments

It's recommended by JAX's documentaiton that JIT should be used for bigger functions.
This will cause unnecessary compilation each time in the loop, even if JAX uses cached functions but still relies on hashing.