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qcelemental


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Author: None
License: BSD 3-Clause License Copyright (c) 2018-2021, The Molecular Sciences Software Institute All rights reserved. Redistribution and use in source and binary forms...
Summary: Core data structures for Quantum Chemistry.
Latest version: 0.50.2
Required dependencies: numpy | pint | pydantic | setuptools
Optional dependencies: autodoc-pydantic | black | codecov | docutils | ipykernel | isort | jsonschema | msgpack | networkx | nglview | numpydoc | pre-commit | pytest | pytest-cov | scipy | sphinx | sphinx-automodapi | sphinx-rtd-theme | sphinxcontrib-napoleon

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