PQAnalysis

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1.1.2 PQAnalysis-1.1.2-py3-none-any.whl

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Project: PQAnalysis
Version: 1.1.2
Filename: PQAnalysis-1.1.2-py3-none-any.whl
Download: [link]
Size: 167796
MD5: ccdae00aaef6a51a12659225f652b8c9
SHA256: 165f85e02375d0d1090201fb68864f56289ea23b999208533e729f0ce60d69e0
Uploaded: 2024-06-07 12:38:44 +0000

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METADATA

Metadata-Version: 2.1
Name: PQAnalysis
Version: 1.1.2
Summary: PQAnalysis is a python package for the analysis of PQ simulations.
Author-Email: Jakob Gamper <97gamjak[at]gmail.com>, "Josef M. Gallmetzer" <gallmetzer.josef[at]gmail.com>, "Clarissa A. Seidler" <clarissa.seidler[at]gmail.com>
Project-Url: Homepage, https://github.com/MolarVerse/PQAnalysis
Project-Url: PQ, https://github.com/MolarVerse/PQ
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.12
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: beartype
Requires-Dist: multimethod
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Requires-Dist: tqdm
Requires-Dist: decorator
Requires-Dist: argcomplete
Requires-Dist: yapf
Requires-Dist: rich-argparse
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-sitemap; extra == "docs"
Requires-Dist: myst-parser; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: better-apidoc; extra == "docs"
Requires-Dist: six; extra == "docs"
Requires-Dist: docstr-coverage; extra == "docs"
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pylint; extra == "test"
Requires-Dist: pylint-django; extra == "test"
Requires-Dist: docstr-coverage; extra == "test"
Provides-Extra: docs
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1995 characters]

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PQAnalysis

entry_points.txt

activate_argcomplete = PQAnalysis.cli.activate_argcomplete:main
add_molecules = PQAnalysis.cli.add_molecules:main
build_nep_traj = PQAnalysis.cli.build_nep_traj:main
continue_input = PQAnalysis.cli.continue_input:main
gen2xyz = PQAnalysis.cli.gen2xyz:main
pqanalysis = PQAnalysis.cli.main:main
rdf = PQAnalysis.cli.rdf:main
rst2xyz = PQAnalysis.cli.rst2xyz:main
traj2box = PQAnalysis.cli.traj2box:main
traj2qmcfc = PQAnalysis.cli.traj2qmcfc:main
xyz2gen = PQAnalysis.cli.xyz2gen:main