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1 | 1 | # FeOs - PC-SAFT |
2 | 2 |
|
3 | | -[](https://crates.io/crates/feos-pcsaft) |
4 | | -[](https://docs.rs/feos-pcsaft) |
5 | | -[](https://feos-org.github.io/feos/) |
6 | | - |
7 | | -Implementation of the PC(P)-SAFT equation of state[^gross2001][^gross2005][^gross2006] and corresponding Helmholtz energy functional[^sauer2016] within the FeOs project. This project contains a Rust implementation as well as bindings to Python. |
8 | | - |
9 | | -## Usage in Python |
10 | | - |
11 | | -If you want to use `feos-pcsaft` in Python, take a look at the [`feos`-repository](https://github.com/feos-org/feos). `feos` contains multiple equation of state implementations in a single, easy-to-use Python package. |
12 | | - |
13 | | -## FeOs |
14 | | - |
15 | | -> FeOs is a framework for equations of state and classical density function theory |
16 | | -
|
17 | | -You can learn more about the principles behind `FeOs` [here](https://feos-org.github.io/feos/). |
18 | | - |
19 | | - |
20 | | -## Parameters |
21 | | -In addition to the source code for the Rust and Python packages, this repository contains JSON files with previously published [parameters](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. |
22 | | - |
23 | | -## Installation |
24 | | - |
25 | | -Add this to your `Cargo.toml` |
26 | | - |
27 | | -```toml |
28 | | -[dependencies] |
29 | | -feos-pcsaft = "0.2" |
30 | | -``` |
31 | | - |
32 | | -## Test building python wheel |
33 | | - |
34 | | -From within a Python virtual environment with `maturin` installed, type |
35 | | - |
36 | | -``` |
37 | | -maturin build --release --out dist --no-sdist -m build_wheel/Cargo.toml |
38 | | -``` |
39 | | - |
40 | | -[^gross2001]: [J. Gross and G. Sadowski (2001). *Industrial & Engineering Chemistry Research*, 40(4), 1244-1260.](https://doi.org/10.1021/ie0003887) |
41 | | -[^gross2005]: [J. Gross (2005). *AIChE Journal*, 51(9), 2556-2568.](https://doi.org/10.1002/aic.10502) |
42 | | -[^gross2006]: [J. Gross and J. Vrabec (2006). *AIChE Journal*, 52(3), 1194-1204.](https://doi.org/10.1002/aic.10683) |
43 | | -[^sauer2016]: [E. Sauer and J. Gross (2017). *Industrial & Engineering Chemistry Research*, 56(14), 4119-4135](https://doi.org/10.1021/acs.iecr.6b04551) |
| 3 | +This repository is archived but the project remains actively maintained and developed as part of the [feos](https://github.com/feos-org/feos) repository. |
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