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Implementation of the uv-theory.

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FeOs - uv-theory

Implementation of the uv-theory1 within the FeOs project. This project contains a Rust implementation as well as bindings to Python.

The uv-theory leads to an accurate description of Mie fluids, Mie chain fluids, and mixtures.

Usage in Python

If you want to use feos-uvtheory 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

FeOs is a framework for equations of state and classical density function theory

You can learn more about the principles behind FeOs here.

Installation

Add this to your Cargo.toml (does not work, not yet published on crates.io)

[dependencies]
feos-uvtheory = "0.1"

Test building python wheel

From within a Python virtual environment with maturin installed, type

maturin build --release --out dist --no-sdist -m build_wheel/Cargo.toml

Footnotes

  1. T. van Westen, and J. Gross (2021). J. Chem. Phys. 155, 244501 (2021) ↩

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