feos-pets
| Crates.io | feos-pets |
| lib.rs | feos-pets |
| version | 0.1.0 |
| created_at | 2022-05-10 11:57:09.173353+00 |
| updated_at | 2022-05-10 11:57:09.173353+00 |
| description | Implementation of PeTS equation of state and corresponding Helmholtz energy functional. |
| homepage | https://github.com/feos-org |
| repository | https://github.com/feos-org/feos-pets |
| max_upload_size | |
| id | 583929 |
| size | 75,065 |
Gernot Bauer (g-bauer)
documentation
README
FeOs - PeTS
Implementation of the PeTS equation of state and corresponding Helmholtz energy functional1 within the FeOs project. This project contains a Rust implementation as well as bindings to Python.
Usage in 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
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
[dependencies]
feos-pets = "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
pip install dist/feos_pets-0.1.0-[...].whl --force-reinstall
or
maturin develop --release -m build_wheel/Cargo.toml