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2.7.1 eminus-2.7.1-py3-none-any.whl

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Project: eminus
Version: 2.7.1
Filename: eminus-2.7.1-py3-none-any.whl
Download: [link]
Size: 210792
MD5: 52a2fccb65a2c4d2ded692dfb843b1bb
SHA256: 94a80b700baaccd59416ac2a9454454c4c3726fbf14770d7e261d0367c768889
Uploaded: 2024-02-09 14:51:26 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: eminus
Version: 2.7.1
Summary: A pythonic plane wave density functional theory (DFT) code.
Author: Wanja Timm Schulze
Author-Email: wangenau[at]protonmail.com
Home-Page: https://github.com/wangenau/eminus
Project-Url: Bug Tracker, https://gitlab.com/wangenau/eminus/-/issues
Project-Url: Changelog, https://wangenau.gitlab.io/eminus/changelog.html
Project-Url: Documentation, https://wangenau.gitlab.io/eminus
Project-Url: Source code, https://gitlab.com/wangenau/eminus
License: APACHE2.0
Keywords: Python,DFT,DFT++
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.7
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 :: 3.12
Classifier: Topic :: Education
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development
Requires-Python: >=3.7
Requires-Dist: numpy (>=1.17)
Requires-Dist: scipy (>=1.6)
Requires-Dist: dftd3 (>=0.6); extra == "all"
Requires-Dist: pyscf (>=2.1); extra == "all"
Requires-Dist: torch (>=1.8); extra == "all"
Requires-Dist: nglview (>=2.6.5); extra == "all"
Requires-Dist: plotly (>=4.5); extra == "all"
Requires-Dist: coverage (>=4.4); extra == "dev"
Requires-Dist: furo (>=2022.02.14.1); extra == "dev"
Requires-Dist: matplotlib (>=1.5); extra == "dev"
Requires-Dist: mypy (>=0.931); extra == "dev"
Requires-Dist: notebook; extra == "dev"
Requires-Dist: pytest (>=5.4); extra == "dev"
Requires-Dist: pytest-cov (>=2.6.1); extra == "dev"
Requires-Dist: ruff (>=0.2); extra == "dev"
Requires-Dist: sphinx (>=4); extra == "dev"
Requires-Dist: sphinx-design (>=0.2); extra == "dev"
Requires-Dist: sphinxcontrib-bibtex (>=2); extra == "dev"
Requires-Dist: dftd3 (>=0.6); extra == "dispersion"
Requires-Dist: pyscf (>=2.1); extra == "fods"
Requires-Dist: pyscf (>=2.1); extra == "libxc"
Requires-Dist: pyscf (>=2.1); extra == "symmetry"
Requires-Dist: torch (>=1.8); extra == "torch"
Requires-Dist: nglview (>=2.6.5); extra == "viewer"
Requires-Dist: plotly (>=4.5); extra == "viewer"
Provides-Extra: all
Provides-Extra: dev
Provides-Extra: dispersion
Provides-Extra: fods
Provides-Extra: libxc
Provides-Extra: symmetry
Provides-Extra: torch
Provides-Extra: viewer
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3754 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

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eminus-2.7.1.dist-info/RECORD — —

top_level.txt

eminus