feos-pcsaft
| Crates.io | feos-pcsaft |
| lib.rs | feos-pcsaft |
| version | 0.2.0 |
| source | src |
| created_at | 2022-01-12 11:03:11.428842 |
| updated_at | 2022-04-25 17:29:20.006816 |
| description | Implementation of PC-SAFT EoS and corresponding Helmholtz energy functional. |
| homepage | https://github.com/feos-org |
| repository | https://github.com/feos-org/feos-pcsaft |
| max_upload_size | |
| id | 512752 |
| size | 207,890 |
Philipp Rehner (prehner)
documentation
README
FeOs - PC-SAFT
Implementation of the PC(P)-SAFT equation of state123 and corresponding Helmholtz energy functional4 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-pcsaft 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.
Parameters
In addition to the source code for the Rust and Python packages, this repository contains JSON files with previously published parameters for the PC(P)-SAFT equation of state and corresponding group contribution methods. The parameter files can be read directly from Rust or Python.
Installation
Add this to your Cargo.toml
[dependencies]
feos-pcsaft = "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