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0.2.4 atomistics-0.2.4-py3-none-any.whl

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Project: atomistics
Version: 0.2.4
Filename: atomistics-0.2.4-py3-none-any.whl
Download: [link]
Size: 88859
MD5: a29aeb73c583eb4d34f19f671d60242d
SHA256: 0536cbd8c873ed070730aa7f0ad63f43af01745d5fd6e0f6c611dda0b3f6ce8d
Uploaded: 2025-03-11 05:31:56 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: atomistics
Version: 0.2.4
Summary: Interfaces for atomistic simulation codes and workflows
Author-Email: Jan Janssen <janssen[at]mpie.de>
Project-Url: Homepage, https://github.com/pyiron/atomistics
Project-Url: Documentation, https://atomistics.readthedocs.io
Project-Url: Repository, https://github.com/pyiron/atomistics
License: BSD 3-Clause License Copyright (c) 2023, pyiron All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Keywords: pyiron
Classifier: Development Status :: 5 - Production/Stable
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: <3.13,>=3.9
Requires-Dist: ase (<=3.24.0,>=3.23.0)
Requires-Dist: numpy (==1.26.4)
Requires-Dist: scipy (<=1.15.2,>=1.11.1)
Requires-Dist: spglib (<=2.6.0,>=2.0.2)
Requires-Dist: phonopy (<=2.38.0,>=2.20.0); extra == "phonopy"
Requires-Dist: seekpath (<=2.1.0,>=1.9.0); extra == "phonopy"
Requires-Dist: structuretoolkit (<=0.0.31,>=0.0.10); extra == "phonopy"
Requires-Dist: gpaw (<=24.6.0,>=20.1.0); extra == "gpaw"
Requires-Dist: pylammpsmpi (<=0.2.31,>=0.2.1); extra == "lammps"
Requires-Dist: jinja2 (<=3.1.6,>=2.11.3); extra == "lammps"
Requires-Dist: pandas (<=2.2.3,>=2.0.3); extra == "lammps"
Requires-Dist: pyiron_lammps (<=0.4.0,>=0.3.2); extra == "lammps"
Requires-Dist: pylammpsmpi (<=0.2.31,>=0.2.1); extra == "lammps-phonons"
Requires-Dist: jinja2 (<=3.1.6,>=2.11.3); extra == "lammps-phonons"
Requires-Dist: pandas (<=2.2.3,>=2.0.3); extra == "lammps-phonons"
Requires-Dist: dynaphopy (<=1.17.16,>=1.17.5); extra == "lammps-phonons"
Requires-Dist: pyiron_lammps (<=0.4.0,>=0.3.2); extra == "lammps-phonons"
Requires-Dist: lxml (<=5.3.1,>=4.9.1); extra == "experimental"
Requires-Dist: mendeleev (<=0.19.0,>=0.12.0); extra == "experimental"
Requires-Dist: pandas (<=2.2.3,>=2.0.3); extra == "experimental"
Requires-Dist: requests (<=2.32.3,>=2.24.0); extra == "experimental"
Requires-Dist: sphinx-parser (==0.0.1); extra == "sphinxdft"
Requires-Dist: pwtools (==1.3.0); extra == "qe"
Requires-Dist: tqdm (==4.67.1); extra == "tqdm"
Requires-Dist: pyiron_vasp (==0.2.4); extra == "vasp"
Provides-Extra: phonopy
Provides-Extra: gpaw
Provides-Extra: lammps
Provides-Extra: lammps-phonons
Provides-Extra: experimental
Provides-Extra: sphinxdft
Provides-Extra: qe
Provides-Extra: tqdm
Provides-Extra: vasp
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 12008 characters]

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top_level.txt

atomistics