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2.4.2 doped-2.4.2-py3-none-any.whl
2.4.1 doped-2.4.1-py3-none-any.whl

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Project: doped
Version: 2.4.1
Filename: doped-2.4.1-py3-none-any.whl
Download: [link]
Size: 248362
MD5: 9f787ebc179bf2269a4268fb1e6ca961
SHA256: 516c6876b1b5dfc4ad3c78a986a22011dfd8c2e267b5db8c8ed33c565db4293d
Uploaded: 2024-04-11 05:54:49 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: doped
Version: 2.4.1
Summary: Python package to setup, process and analyse solid-state defect calculations with VASP
Author-Email: Seán Kavanagh <skavanagh[at]seas.harvard.edu>
Project-Url: Homepage, https://doped.readthedocs.io/en/latest/
Project-Url: Documentation, https://doped.readthedocs.io/en/latest/
Project-Url: Package, https://pypi.org/project/doped/
Project-Url: Repository, https://github.com/SMTG-Bham/doped
License: MIT License Copyright (c) 2021 Seán Kavanagh Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: tabulate
Requires-Dist: matplotlib (>=3.5.2)
Requires-Dist: numpy (>=1.21.0)
Requires-Dist: pymatgen (>=2023.11.12)
Requires-Dist: spglib (==2.0.2)
Requires-Dist: pymatgen-analysis-defects (>=2023.8.22)
Requires-Dist: shakenbreak (>=3.3.1)
Requires-Dist: pandas
Requires-Dist: pydefect (>=0.8.1)
Requires-Dist: filelock
Requires-Dist: vise (>=0.9.0)
Requires-Dist: easyunfold (>=0.3.6)
Requires-Dist: easyunfold; extra == "analysis"
Requires-Dist: py-sc-fermi; extra == "analysis"
Requires-Dist: sumo; extra == "analysis"
Requires-Dist: nonrad; extra == "analysis"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-book-theme; extra == "docs"
Requires-Dist: sphinx-design; extra == "docs"
Requires-Dist: pycairo; extra == "pdf"
Requires-Dist: pytest (>=7.1.3); extra == "tests"
Requires-Dist: pytest-mpl (>=0.16.1); extra == "tests"
Provides-Extra: analysis
Provides-Extra: docs
Provides-Extra: pdf
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 10735 characters]

WHEEL

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RECORD

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doped/analysis.py sha256=BNLrkkLCDkCPkT16PA_6tKMxIZpnFRF0vsrnj2vDw5w 116875
doped/chemical_potentials.py sha256=cfvqtV2PSsJFP2ksHJ-6CV3Ori3iE96dmghFduBH8NE 90125
doped/core.py sha256=e6hinPnCNCpHxW-CvFm6PpOxKBssg__V2chubYszuF4 88148
doped/corrections.py sha256=z2yElWlyEjuQHaVrzl8wN_oFR-NDhGjAEuhHSjGNQeQ 28951
doped/generation.py sha256=_WxYHudLjrbm589x4F_AQz-pvBFfSKuD2TqKJNc9my4 108002
doped/thermodynamics.py sha256=8CAb2ZnaOlwWjIYE2DRdbC4UNHcWzxaU5PUjQ4v6YP4 147387
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doped-2.4.1.dist-info/RECORD — —

top_level.txt

doped