Density functional theory (DFT) methods package for ab-initio calculations.
Project description
mammos-dft
Density functional theory (DFT) package for ab-initio calculations.
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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.
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