feos
num-dual
| feos | num-dual | |
|---|---|---|
| 2 | 3 | |
| 100 | 48 | |
| - | - | |
| 7.8 | 5.6 | |
| 5 days ago | 21 days ago | |
| Rust | Rust | |
| GNU General Public License v3.0 or later | GNU General Public License v3.0 or later |
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feos
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How are Equations of State used to calculate thermophysical properties ?
There are other formulations of this, the V,T,Nᵢ is basically the Clapeyron.jl and FeoS formulation. other software that does this, teqp, uses a Vi,T instead, and uses Φ = A/V instead for their base function. (their paper says that it will replace REFPROP, and the author is one of the creators of REFPROP, so his words have weight in that regard).
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Automatic differentiation and thermodynamics with `num-dual` and `feos`
We are happy to announce num-dual and feos, two crates that we've been working on over the last years.
num-dual
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Advice for implementing this type of dynamic dispatch for automatic differentiation
In the num-dual crate, we solve this problem using generics rather than dynamic dispatch. It also uses nalgebra as a backend rather than ndarray for the possibility to have both statically and dynamically sized arrays. The signature for the Jacobian is
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Automatic differentiation and thermodynamics with `num-dual` and `feos`
We are happy to announce num-dual and feos, two crates that we've been working on over the last years.
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niura: Automatic differentiation library that's actually easy to use
There is an implementation of generalized dual numbers in rust (https://github.com/itt-ustutt/num-dual) which might be interesting for you ;)
What are some alternatives?
dwsim - DWSIM is a Steady-State and Dynamic Sequential Modular Chemical Process Simulator for Windows, Linux and macOS.
ruff - An extremely fast Python linter, written in Rust. [Moved to: https://github.com/astral-sh/ruff]
teqp - A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation
wtfisjet - Provides an implementation for jets and some jet-based utilities
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
autodiff-rust - Automatic differentiation for Rust
bevy_xpbd - 2D and 3D physics engine based on Extended Position Based Dynamics for Bevy.
polars - Dataframes powered by a multithreaded, vectorized query engine, written in Rust
Clapeyron.jl - Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
ruff - An extremely fast Python linter and code formatter, written in Rust.
physx-rs - 🎳 Rust binding for NVIDIA PhysX 🦀