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mindlessgen

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0.6.0 mindlessgen-0.6.0-py3-none-any.whl

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Project: mindlessgen
Version: 0.6.0
Filename: mindlessgen-0.6.0-py3-none-any.whl
Download: [link]
Size: 63710
MD5: bc702890b9c070b93e6bff06402169f3
SHA256: eb07ee4a04266272318ed119f88fadeb66a8cd0d9c449f8f147cd967c0549e23
Uploaded: 2025-04-01 19:30:24 +0000

dist-info

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

METADATA

Metadata-Version: 2.4
Name: mindlessgen
Version: 0.6.0
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: tqdm
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"
Requires-Dist: types-tqdm; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
Dynamic: license-file
License-File: LICENSE
[Description omitted; length: 9494 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (78.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
mindlessgen/__init__.py sha256=VuPQjGoqDEIYvrI7KvqCT_-zDXN4-taEiCT88DMxYvk 132
mindlessgen/__main__.py sha256=EfkbJtUhujnaBhmKSIOIvgXjEXxH0BvyBdEyWSkq9TE 181
mindlessgen/__version__.py sha256=jF9TuoEIJRaca3ScKo6qaz6PzaMlu7jjuSQIrJ3nX4U 511
mindlessgen/cli/__init__.py sha256=Slz4z64y-9rMzcGwCGB2jwEpAdAD6VsoWxziLvNiU0M 232
mindlessgen/cli/cli_parser.py sha256=pDRveC1oqOCUPsDFRC_mvHD0reAJQJIxcZnNPyeN2PE 11110
mindlessgen/cli/entrypoint.py sha256=oi3y0jusyp60ouGKCvmtxG2Iepm4xKo2oNGr80kipSM 2517
mindlessgen/data/__init__.py sha256=dyKCO-AEKj1y7eHMn6d8Yw9zaMMF_HOZnENG03NxSck 391
mindlessgen/data/constants.py sha256=8xxwJn31MvCk7-BX3yVJfYi1yzLjJR-rl8xIviycKqE 2021
mindlessgen/data/parameters.py sha256=ELiTHtwBlgtTSilmSV-5A_TgTclVEGO6VFgf3cKj2EQ 3184
mindlessgen/generator/__init__.py sha256=rdibjPlKZ-6bTPor1Md-QHih16_mVY2uXDapadUNMAA 124
mindlessgen/generator/main.py sha256=Eq7q6g7FxL6QvaVwr_21lGb4vclYNjO3hRMlr6n98gw 19828
mindlessgen/molecules/__init__.py sha256=28IYXbpw0_FaZR04sQRf3oISdjDB0paOb45O9pXJn8Y 1106
mindlessgen/molecules/generate_molecule.py sha256=MHjYSUofqUSa5yZN4MNFYUTYGV_tq8Z24_ksb0GKOLk 18949
mindlessgen/molecules/miscellaneous.py sha256=nz-essMk0aIsYsHd65MX6LVY93LqUUagVXhiBpiB69s 4560
mindlessgen/molecules/molecule.py sha256=W6VHHejyc4V7hF65Rm_Kh-fTUg5Kkro2gkgOAzeZmuk 23421
mindlessgen/molecules/postprocess.py sha256=0cJ36ubwExW1J2FA_JAtaELcIz1-6kynszmVMD4K0jE 1630
mindlessgen/molecules/refinement.py sha256=fhqbRTF7o9LpJKz8o8yCpGjfYdtO1slKbQu6teN04YU 10654
mindlessgen/prog/__init__.py sha256=SBbYGddi9wxLaZ-dzK7ysE1rPpCR1ZRMzbb3ysJi9vk 724
mindlessgen/prog/config.py sha256=g0Wqx-ylPbxDBbRsjMXcJwbEBW-BL8Eh1WR-FZvQUlo 46028
mindlessgen/prog/parallel.py sha256=DiIq05P4LgxFYg8onswieTdEdZPtaeiVl8thfo8LBxw 2841
mindlessgen/qm/__init__.py sha256=n2BlIjJPnXKgkFh4yECS5vaGcPf5u30w9bFN9PQw_2c 453
mindlessgen/qm/base.py sha256=nuD-P2sXdJK6Z7i7HNmrWeqLA71YQ10SqAfhlhdoAfk 3601
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mindlessgen/qm/xtb.py sha256=HkC7pdYy1stH-7303OLuGSbTjy2LdGm1F2jTDdKmfJk 10002
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mindlessgen/symmetrization/mirror.py sha256=YEK743QZG-2Z_9fglmrwfXTQpYIhIr9ujUVNVcgOSEk 915
mindlessgen/symmetrization/rotation.py sha256=UaSdOkFgUIIob0qa29YWzEdgT0R9Amorenri_MQcdNo 1218
mindlessgen-0.6.0.dist-info/licenses/LICENSE sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ 11357
mindlessgen-0.6.0.dist-info/METADATA sha256=F2XyieMZISEJLWsdoY4qjgP1x0vmWIvQiGL9pLNoIio 10937
mindlessgen-0.6.0.dist-info/WHEEL sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0 91
mindlessgen-0.6.0.dist-info/entry_points.txt sha256=NXx3N6xs3ihR84qvyQfANBMOd3ucLECKCGdD4sVf8vI 64
mindlessgen-0.6.0.dist-info/top_level.txt sha256=mdWx48wXOe68LvtDhdIvxlPiWx6b9Beg_3vB0B-dbMc 12
mindlessgen-0.6.0.dist-info/RECORD — —

top_level.txt

mindlessgen

entry_points.txt

[console_scripts]
mindlessgen = mindlessgen:console_entry_point