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shakenbreak

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23.6.23 shakenbreak-23.6.23-py3-none-any.whl
1.0.0 shakenbreak-1.0.0-py3-none-any.whl

Wheel Details

Project: shakenbreak
Version: 1.0.0
Filename: shakenbreak-1.0.0-py3-none-any.whl
Download: [link]
Size: 212631
MD5: 40a35ddfa7207e55a79152df7ccdc3b3
SHA256: d7f0bf914140e550230d3e0216e3fd07fc0c3fa3fbff26fa61cedc985425e4b0
Uploaded: 2022-08-22 13:14:44 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: shakenbreak
Version: 1.0.0
Summary: Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.
Author: Irea Mosquera-Lois, Seán R. Kavanagh
Author-Email: irea.lois.20[at]ucl.ac.uk, sean.kavanagh.19[at]ucl.ac.uk
Maintainer: Irea Mosquera-Lois, Seán R. Kavanagh
Maintainer-Email: irea.lois.20[at]ucl.ac.uk, sean.kavanagh.19[at]ucl.ac.uk
Home-Page: https://github.com/SMTG-UCL/ShakeNBreak
License: MIT
Keywords: chemistry pymatgen dft defects structure-searching distortions symmetry-breaking
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: numpy
Requires-Dist: pymatgen
Requires-Dist: matplotlib
Requires-Dist: ase
Requires-Dist: pandas
Requires-Dist: seaborn
Requires-Dist: hiphive
Requires-Dist: monty
Requires-Dist: click
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-book-theme; extra == "docs"
Requires-Dist: sphinx-click; extra == "docs"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-mpl (==0.15.1); extra == "tests"
Provides-Extra: docs
Provides-Extra: tests
License-File: LICENSE
[No description]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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shakenbreak/distortions.py sha256=xvc0foFfrDfZq0j_Z8L4o5J85N3a0cnxsurfF-cLSng 21242
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shakenbreak-1.0.0.dist-info/LICENSE sha256=VL1wXjXwQnS1INKbyiuJmAkMetzY3Ndgb_7wriwzvKg 1063
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shakenbreak-1.0.0.dist-info/RECORD — —

top_level.txt

shakenbreak
tests

entry_points.txt

[console_scripts]
shakenbreak = shakenbreak.cli:snb
shakenbreak-analyse = shakenbreak.cli:analyse
shakenbreak-generate = shakenbreak.cli:generate
shakenbreak-generate_all = shakenbreak.cli:generate_all
shakenbreak-groundstate = shakenbreak.cli:groundstate
shakenbreak-parse = shakenbreak.cli:parse
shakenbreak-plot = shakenbreak.cli:plot
shakenbreak-regenerate = shakenbreak.cli:regenerate
shakenbreak-run = shakenbreak.cli:run
snb = shakenbreak.cli:snb
snb-analyse = shakenbreak.cli:analyse
snb-generate = shakenbreak.cli:generate
snb-generate_all = shakenbreak.cli:generate_all
snb-groundstate = shakenbreak.cli:groundstate
snb-parse = shakenbreak.cli:parse
snb-plot = shakenbreak.cli:plot
snb-regenerate = shakenbreak.cli:regenerate
snb-run = shakenbreak.cli:run