tad-dftd3

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0.2.1 tad_dftd3-0.2.1-py3-none-any.whl

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Project: tad-dftd3
Version: 0.2.1
Filename: tad_dftd3-0.2.1-py3-none-any.whl
Download: [link]
Size: 756303
MD5: ecae80b8d7c476b3ac96d3e6bdb8acda
SHA256: 03fb2e62e816f14210b42723b15e6c62fd622b511c4ec2e78b42eabd0ecd7ade
Uploaded: 2024-04-26 18:53:19 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: tad_dftd3
Version: 0.2.1
Summary: Torch autodiff DFT-D3 implementation
Project-Url: Documentation, https://tad-dftd3.readthedocs.io/en/latest/
Project-Url: Source Code, https://github.com/dftd3/tad-dftd3
Project-Url: Tracker, https://github.com/dftd3/tad-dftd3/issues
License: Apache-2.0
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: Implementation :: CPython
Requires-Python: >=3.8
Requires-Dist: numpy
Requires-Dist: tad-mctc
Requires-Dist: torch
Requires-Dist: black; extra == "dev"
Requires-Dist: covdefaults; extra == "dev"
Requires-Dist: mypy; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: pylint; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pytest-random-order; extra == "dev"
Requires-Dist: pytest-xdist; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: covdefaults; extra == "tox"
Requires-Dist: pytest; extra == "tox"
Requires-Dist: pytest-cov; extra == "tox"
Requires-Dist: pytest-random-order; extra == "tox"
Requires-Dist: pytest-xdist; extra == "tox"
Provides-Extra: dev
Provides-Extra: tox
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 11002 characters]

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tad_dftd3