pymatgen-analysis-diffusion
This add-on to pymatgen provides tools for analyzing diffusion in materials.
This add-on to pymatgen provides tools for analyzing diffusion in materials.
To install this package, run one of the following:
Formerly pymatgen-diffusion, this is an add-on to pymatgen for diffusion analysis that is developed by the Materials Virtual Lab. Note that it relies on pymatgen for structural manipulations, file io, and preliminary analyses. This is and will always be, a scientific work in progress. Pls check back regularly for more details.
Summary
This add-on to pymatgen provides tools for analyzing diffusion in materials.
Last Updated
Nov 14, 2025 at 16:06
License
BSD-3-Clause
Total Downloads
42.7K
Supported Platforms
GitHub Repository
https://github.com/materialsvirtuallab/pymatgen-diffusion/