Implementation of the PeTS equation of state and corresponding Helmholtz energy functional[^heier2018] within the FeOs project. This project contains a Rust implementation as well as bindings to Python.
If you want to use feos-pets in Python, take a look at the feos-repository. feos contains multiple equation of state implementations in a single, easy-to-use Python package.
FeOs is a framework for equations of state and classical density function theory
You can learn more about the principles behind FeOs here.
Add this to your Cargo.toml
toml
[dependencies]
feos-pets = "0.1"
From within a Python virtual environment with maturin installed, type
bash
maturin build --release --out dist --no-sdist -m build_wheel/Cargo.toml
pip install dist/feos_pets-0.1.0-[...].whl --force-reinstall
or
bash
maturin develop --release -m build_wheel/Cargo.toml