Metadata-Version: 2.4
Name: OptKing
Version: 0.4.2
Summary: A geometry optimizer for quantum chemistry.
Home-page: https://github.com/psi-rking/optking
Author: Rollin King
Author-email: rking@bethel.edu
License: BSD-3C
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy>=1.20
Requires-Dist: qcelemental>=0.20.0
Requires-Dist: qcengine>=0.20.0
Requires-Dist: msgpack>=1.0
Requires-Dist: pydantic>=1.10
Provides-Extra: docs
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-napoleon; extra == "docs"
Requires-Dist: sphinx-automodapisphinx-design; extra == "docs"
Requires-Dist: pydata-sphinx-theme; extra == "docs"
Requires-Dist: pydantic-autodoc; extra == "docs"
Requires-Dist: numpydoc; extra == "docs"
Provides-Extra: tests
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Requires-Dist: pytest-pep8; extra == "tests"
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OptKing is a python geometry optimization module originally written for PSI by R. A. King.
