Z Field

A JAX package for predicting per-atom tensorial properties from atomistic machine learned interatomic potentials.

Installation

pip install -e .

Development

Setup

1. Clone the repository
2. Install in development mode with test dependencies:

pip install -e ".[dev]"

Running Tests

pytest

With coverage:

pytest --cov=z_tensor --cov-report=html

Usage

import z_field

# Your code here

License

MIT License