potentials

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0.4.0 potentials-0.4.0-py3-none-any.whl

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Project: potentials
Version: 0.4.0
Filename: potentials-0.4.0-py3-none-any.whl
Download: [link]
Size: 211332
MD5: c7ed9ab7f4e8d26902d7c7abffe424a1
SHA256: 8093c798b8632ef063844169637b25a0dde3d9f5a4facc1b5710b6e05d3180ae
Uploaded: 2025-02-24 21:42:11 +0000

dist-info

METADATA

Metadata-Version: 2.2
Name: potentials
Version: 0.4.0
Summary: API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties.
Author: Lucas Hale
Author-Email: lucas.hale[at]nist.gov
Home-Page: https://github.com/usnistgov/potentials
Keywords: atom,atomic,atomistic,molecular dynamics,interatomic potential,force field
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: xmltodict
Requires-Dist: DataModelDict
Requires-Dist: unidecode
Requires-Dist: numpy
Requires-Dist: matplotlib
Requires-Dist: pandas
Requires-Dist: requests
Requires-Dist: habanero
Requires-Dist: bibtexparser
Requires-Dist: ipywidgets
Requires-Dist: cdcs
Requires-Dist: yabadaba (>=0.3.1)
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: home-page
Dynamic: keywords
Dynamic: requires-dist
Dynamic: summary
License-File: LICENSE.TXT
[Description omitted; length: 3377 characters]

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potentials