Metadata-Version: 2.4
Name: dft3c
Version: 0.1.1
Summary: Density function theory with corrections, DFT-3c
License: Apache-2.0
Project-URL: repository, https://github.com/awvwgk/dft3c
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
Description-Content-Type: text/x-rst
License-File: LICENSE
Requires-Dist: pyscf
Requires-Dist: dftd3>=1.3.1
Requires-Dist: dftd4>=4
Provides-Extra: ase
Requires-Dist: ase; extra == "ase"
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Dynamic: license-file

DFT-3c methods
==============

Implementation of DFT-3c methods for PySCF and GPU4PySCF.
Conveniently made available as ASE calculators.
