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mindlessgen

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0.5.1 mindlessgen-0.5.1-py3-none-any.whl

Wheel Details

Project: mindlessgen
Version: 0.5.1
Filename: mindlessgen-0.5.1-py3-none-any.whl
Download: [link]
Size: 49599
MD5: c4fd5a3c95f7f9a4faf27a4d974ba244
SHA256: 2e4cbdcd8abb55399d7e2ec8e0a647f321de62a2010dce8b4a78cf69853f24d1
Uploaded: 2024-12-16 12:43:39 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: mindlessgen
Version: 0.5.1
Summary: Mindless Molecule Generator
Author-Email: Marcel Müller <marcel.mueller[at]thch.uni-bonn.de>, Jonathan Schöps <s6jtscho[at]uni-bonn.de>
Project-Url: GitHub, https://github.com/grimme-lab/MindlessGen
Project-Url: Changelog, https://github.com/grimme-lab/MindlessGen/blob/main/CHANGELOG.md
Project-Url: Issues, https://github.com/grimme-lab/MindlessGen/issues
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering
Classifier: Typing :: Typed
Requires-Python: >=3.10
Requires-Dist: numpy
Requires-Dist: networkx
Requires-Dist: toml
Requires-Dist: ruff (==0.5.7); extra == "dev"
Requires-Dist: mypy; extra == "dev"
Requires-Dist: covdefaults; extra == "dev"
Requires-Dist: coverage; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: setuptools_scm (>=8); extra == "dev"
Requires-Dist: types-toml; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 9363 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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mindlessgen/__main__.py sha256=EfkbJtUhujnaBhmKSIOIvgXjEXxH0BvyBdEyWSkq9TE 181
mindlessgen/__version__.py sha256=8W5N0WKS0YIWUpfry5TouisDYjsMUIZ7Vc0crGGGQQU 411
mindlessgen/cli/__init__.py sha256=Slz4z64y-9rMzcGwCGB2jwEpAdAD6VsoWxziLvNiU0M 232
mindlessgen/cli/cli_parser.py sha256=CPwvBOPDW2aGMFizexV0AiTa8isVTSxtZ694OCNGYIQ 9060
mindlessgen/cli/entrypoint.py sha256=oi3y0jusyp60ouGKCvmtxG2Iepm4xKo2oNGr80kipSM 2517
mindlessgen/generator/__init__.py sha256=rdibjPlKZ-6bTPor1Md-QHih16_mVY2uXDapadUNMAA 124
mindlessgen/generator/main.py sha256=JXlOFQArybyMGSMWbPrBpWKNUvJiLxzmhKLJT4VzZkk 12838
mindlessgen/molecules/__init__.py sha256=1w5g5EHeH7HnSw5Lw9e3ExTEYAUwKWBYpGwYLBQqrXk 1113
mindlessgen/molecules/generate_molecule.py sha256=FOiGoAgmtqCihA8L5NnjJSQB5k5t0OUoG8gEfnwwF2s 18934
mindlessgen/molecules/miscellaneous.py sha256=otvwDj4ssZHwm-KP3QT84JtYDgUn2ew74p2ym1dAqTg 4268
mindlessgen/molecules/molecule.py sha256=T97ri3tVYBwr9xEGhErwd2-hUxgHg2dM1d_yQFPJUBg 19391
mindlessgen/molecules/postprocess.py sha256=xH_6q9CNyoZBACcRzS7ElvoEprnLJ24rUAQAHRueYOI 1106
mindlessgen/molecules/refinement.py sha256=VtlIIjhZyn5kmVCts6h4DXpdnmMIiyN8n5Zd9ZUhrw0 15006
mindlessgen/prog/__init__.py sha256=SuxEM_GRcE7xOmiYQ6grbzm1KhneLgDTeMsgtFf4brU 406
mindlessgen/prog/config.py sha256=lNg0uOnl4SYD3RTsfHFObPoFtLNPxGpnLh1S73gn7F4 34568
mindlessgen/qm/__init__.py sha256=p8Nh-GT_psk7X5eDA6CaxBBY4By2i5_S34WR2DsvD98 329
mindlessgen/qm/base.py sha256=S_xDEqMHssUHFFenRs11SVwDhezMAUntiF0uR4_73H8 1858
mindlessgen/qm/gp3.py sha256=y3MXbjk-p90z_Btc_EjCwjT4X2tormeIyuo4K4T5ymo 6451
mindlessgen/qm/orca.py sha256=Web7BA6cHRbvNcwdNzGJP7zfKdfcE1CX6YUA17JR-B8 7709
mindlessgen/qm/xtb.py sha256=3l25IYJN3yxvEengH949a08Y5PVlEhhOQAIhlH_zjlI 9367
mindlessgen-0.5.1.dist-info/LICENSE sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ 11357
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mindlessgen-0.5.1.dist-info/entry_points.txt sha256=NXx3N6xs3ihR84qvyQfANBMOd3ucLECKCGdD4sVf8vI 64
mindlessgen-0.5.1.dist-info/top_level.txt sha256=mdWx48wXOe68LvtDhdIvxlPiWx6b9Beg_3vB0B-dbMc 12
mindlessgen-0.5.1.dist-info/RECORD — —

top_level.txt

mindlessgen

entry_points.txt

[console_scripts]
mindlessgen = mindlessgen:console_entry_point