Metadata-Version: 2.1
Name: pydmclab
Version: 1.1.4
Summary: Package to facilitate DFT calculations and analysis
Home-page: https://github.umn.edu/bartel-group/pydmclab
Author: Chris Bartel
Author-email: cbartel@umn.edu
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9.0
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: numpy (>=1.25.0)
Requires-Dist: mp-api (>=0.39)
Requires-Dist: pymatgen (>=2023.0.0)
Provides-Extra: defects
Requires-Dist: pymatgen-analysis-defects ; extra == 'defects'
Provides-Extra: mlp
Requires-Dist: chgnet ; extra == 'mlp'
Provides-Extra: phonons
Requires-Dist: phonopy ; extra == 'phonons'


# pydmclab

- common framework to rely upon for typical calculations and analysis done in the Bartel research group

- documentation details can be found [here](docs.md)
