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Project: pyiron-atomistics
Version: 0.5.3
Filename: pyiron_atomistics-0.5.3-py3-none-any.whl
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Metadata-Version: 2.1
Name: pyiron_atomistics
Version: 0.5.3
Summary: An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
Author-Email: "Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department" <pyiron[at]mpie.de>
Project-Url: Homepage, https://pyiron.org
Project-Url: Documentation, https://pyiron.readthedocs.io
Project-Url: Repository, https://github.com/pyiron/pyiron_atomistics
License: BSD 3-Clause License Copyright (c) 2021, Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department 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 (==3.22.1)
Requires-Dist: atomistics (==0.1.27)
Requires-Dist: defusedxml (<=0.7.1,>=0.7.0)
Requires-Dist: h5py (<=3.11.0,>=3.9.0)
Requires-Dist: matplotlib (<=3.8.4,>=3.5.3)
Requires-Dist: mendeleev (<=0.15.0,>=0.12.0)
Requires-Dist: mp-api (<=0.41.2,>=0.37.0)
Requires-Dist: numpy (<=1.26.4,>=1.26.0)
Requires-Dist: pandas (<=2.2.2,>=2.0.3)
Requires-Dist: phonopy (<=2.22.1,>=2.20.0)
Requires-Dist: pint (<=0.23,>=0.18)
Requires-Dist: pyiron-base (<=0.8.2,>=0.7.7)
Requires-Dist: pylammpsmpi (<=0.2.18,>=0.2.7)
Requires-Dist: scipy (<=1.13.0,>=1.11.1)
Requires-Dist: scikit-learn (<=1.4.2,>=1.2.1)
Requires-Dist: seekpath (<=2.1.0,>=1.9.5)
Requires-Dist: spglib (<=2.4.0,>=2.0.2)
Requires-Dist: structuretoolkit (<=0.0.22,>=0.0.19)
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 5747 characters]

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