Metadata-Version: 2.4
Name: disprs
Version: 0.1.0
Summary: Native D3, gCP, D4 and D4S dispersion corrections
License-Expression: Apache-2.0
License-File: LICENSE
Requires-Python: >=3.10
Provides-Extra: ase
Requires-Dist: ase>=3.23; extra == "ase"
Requires-Dist: numpy>=1.23; extra == "ase"
Provides-Extra: pyscf
Requires-Dist: pyscf>=2.8; extra == "pyscf"
Requires-Dist: numpy>=1.23; extra == "pyscf"
Provides-Extra: qcschema
Requires-Dist: qcelemental>=0.51; extra == "qcschema"
Requires-Dist: numpy>=1.23; extra == "qcschema"
Description-Content-Type: text/markdown

# Library for dispersion corrections

This library provides the DFT-D3 and DFT-D4 dispersion corrections and the geometrical counter-poise (gCP) correction method.


## License

This project is licensed under Apache License 2.0, all contributions intended to be included in this project must be compatible with this license.

For more details, see the [LICENSE](LICENSE) file.