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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Kalman filter issue for a system with multiple elements

hghcomphys opened this issue · comments

There is a bug for system with multiple elements (e.g. water with O and H atoms).

The issue was resolved by enabling "JAX_ENABLE_X64" in JAX.