Core traits and functionalities for the feos project.
The crate makes use of generalized (hyper-) dual numbers to generically calculate exact partial derivatives from Helmholtz energy equations of state. The derivatives are used to calculate - properties, - critical points, - and phase equilibria.
In addition to that, utilities are provided to assist in the handling of parameters for both molecular equations of state and (homosegmented) group contribution methods. Mainly as a simple test case, a cubic equation of state is published as part of this crate. Implementations of more sophisticated models are meant to be contained in individual crates. A list of currently available implementations can be found in the feos repository.
For information on how to implement your own equation of state, check out the documentation.
Add this to your Cargo.toml
toml
[dependencies]
feos-core = "0.2"
From within a Python virtual environment with maturin installed, type
maturin build --release --out dist --no-sdist -m build_wheel/Cargo.toml