8000 GitHub - MaMMoS-project/mammos-dft: Density functional theory (DFT) methods package for ab-initio calculations.
[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

MaMMoS-project/mammos-dft

Repository files navigation

mammos-dft

Density functional theory (DFT) package for ab-initio calculations.

Description Badge
Tests Test package
Linting pre-commit.ci status
Releases PyPI version
Documentation Documentation
Binder Binder
License License
DOI DOI

Try it in the cloud

Try mammos-dft without installing it locally by directly accessing it directly in the cloud via Binder.

Simply click the badge in the table above to get started.

Sessions are temporary and may time out after a period of inactivity, and any files created or modified during your session will not be saved. To avoid losing your work, please remember to download any files you create or edit before your session ends.

Documentation

APIs and tutorials are available in the documentation. To access the documentation, use the badge in the table above.

Installation

To install mammos-dft, you can use pip install mammos-dft inside a Python environment. For more details refer to the documentation.

How to cite

TODO

Acknowledgements

This software has been supported by the European Union’s Horizon Europe research and innovation programme under grant agreement No 101135546 MaMMoS.

About

Density functional theory (DFT) methods package for ab-initio calculations.

Resources

License

Stars

Watchers

Forks

Packages

No packages published

Contributors 5

0