Expand description
Polymers Modeling Library
The library is implemented entirely in Rust, including the Python API. The Julia API calls the Rust library.
Python
The library can be installed as a Python package:
pip install polymers
If Rust is installed, the latest edition of the library can be installed from the GitHub repository:
git clone git@github.com:sandialabs/Polymers.git
cd Polymers/
pip install maturin
maturin build --features python
pip install target/wheels/*.whl
Julia
The library can be installed as a Julia package:
using Pkg
Pkg.add("Polymers")
If Rust is installed, the latest edition of the library can be installed from the GitHub repository:
using Pkg
Pkg.add(url="https://github.com/sandialabs/Polymers")
Pkg.build("Polymers")
Rust
The library can be used in an existing Rust project by adding the polymers
crate to Cargo.toml:
[dependencies]
polymers = "*"
To use the latest edition of the library, add the GitHub repository to Cargo.toml:
[dependencies]
regex = { git = "https://github.com/sandialabs/polymers" }
Citation
Michael R. Buche. Polymers Modeling Library. Zenodo (2023).
Copyright
Copyright 2022 National Technology & Engineering Solutions of Sandia, LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains certain rights in this software.
Modules
- Models for polymer physics.