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0.9.2 qcop-0.9.2-py3-none-any.whl

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Project: qcop
Version: 0.9.2
Filename: qcop-0.9.2-py3-none-any.whl
Download: [link]
Size: 29307
MD5: d06de6fb68e5ee14936a8776aa885c65
SHA256: 24551683478e48a5d0d262fdc0131e480a1fb4317374bf8c35b8a3cf6dd3f3d6
Uploaded: 2024-10-02 00:50:05 +0000

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METADATA · WHEEL · RECORD

METADATA

Metadata-Version: 2.1
Name: qcop
Version: 0.9.2
Summary: A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
Author: Colton Hicks
Author-Email: github[at]coltonhicks.com
Home-Page: https://github.com/coltonbh/qcop
Project-Url: Repository, https://github.com/coltonbh/qcop
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9,<4.0
Requires-Dist: geometric (<2.0.0,>=1.0.1); extra == "geometric" or extra == "all"
Requires-Dist: qcelemental (<0.27.0,>=0.26.0); extra == "qcengine" or extra == "all"
Requires-Dist: qcengine (<0.28.0,>=0.27.0); extra == "qcengine" or extra == "all"
Requires-Dist: qcio (<0.12.0,>=0.11.8)
Requires-Dist: qcparse (<0.7.0,>=0.6.4)
Requires-Dist: tcpb (<0.15.0,>=0.14.1); extra == "all"
Requires-Dist: tomli-w (<2.0.0,>=1.0.0)
Requires-Dist: xtb (<23.0,>=22.1); extra == "xtb" or extra == "all"
Provides-Extra: all
Provides-Extra: geometric
Provides-Extra: qcengine
Provides-Extra: xtb
Description-Content-Type: text/markdown
[Description omitted; length: 8636 characters]

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