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 LAMMPS outputs directory into Structure

hghcomphys opened this issue · comments

This allows directly loading LAMMPS dump files into Structure without being need to first converting them into intermediate files/formats (e.g. input.data).