landau.py

A library to calculate thermodynamic equilibria and plot phase diagrams in the (semi-)grand ensemble.

Building packages

pip install build
python -m build --sdist

Citation

This code is part of a publication, please cite it accordingly if you use this package in your work

@article{poul2024automated,
  title={Automated Generation of Structure Datasets for Machine Learning Potentials and Alloys},
  author={Poul, Marvin and Huber, Liam and Neugebauer, J{\"o}rg},
  year={2024}
}

Examples

Phase Diagram of Two Ideal Solutions

See the Ideal Solution notebook.