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README.rst

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.. |Black| image:: https://img.shields.io/badge/code_style-black-black
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:target: https://github.com/psf/black
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.. |CI| image:: https://github.com/diffpy/diffpy.structure/actions/workflows/main.yml/badge.svg
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:target: https://github.com/diffpy/diffpy.structure/actions/workflows/main.yml
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.. |CI| image:: https://github.com/diffpy/diffpy.structure/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
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:target: https://github.com/diffpy/diffpy.structure/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
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.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.structure/branch/main/graph/badge.svg
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:target: https://codecov.io/gh/diffpy/diffpy.structure
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diffpy.structure includes definitions of all space groups in over 500
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symmetry settings.
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For more information about the diffpy.structure library, please consult our `online documentation <https://diffpy.github.io/diffpy.structure>`_.
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Citation
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Another option is to use ``pip`` to download and install the latest release from
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`Python Package Index <https://pypi.python.org>`_.
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To install using ``pip`` into your ``diffpy.structure_env`` environment, we will also have to install dependencies ::
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pip install -r https://raw.githubusercontent.com/diffpy/diffpy.structure/main/requirements/run.txt
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and then install the package ::
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To install using ``pip`` into your ``diffpy.structure_env`` environment, type ::
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pip install diffpy.structure
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`Diffpy user group <https://groups.google.com/g/diffpy-users>`_ is the discussion forum for general questions and discussions about the use of diffpy.structure. Please join the diffpy.structure users community by joining the Google group. The diffpy.structure project welcomes your expertise and enthusiasm!
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.structure/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.structure/pulls>`_. You can also post it to the `Diffpy user group <https://groups.google.com/g/diffpy-users>`_.
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.structure/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.structure/pulls>`_. You can also post it to the `Diffpy user group <https://groups.google.com/g/diffpy-users>`_.
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Feel free to fork the project and contribute. To install diffpy.structure
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in a development mode, with its sources being directly used by Python
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Before contribuing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.structure/blob/main/CODE_OF_CONDUCT.rst>`_.
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Acknowledgement
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---------------
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Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
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originate from the `pymmlib project <http://pymmlib.sourceforge.net>`_.
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Less common settings of space groups were generating using the
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`Computational Crystallography Toolbox <http://cctbx.sourceforge.net>`_.
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Contact
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-------
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doc/source/license.rst

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Copyright (c) 2014-2019, Brookhaven Science Associates, Brookhaven National Laboratory
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Copyright (c) 2024, The Trustees of Columbia University in the City of New York.
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Copyright (c) 2024, The Trustees of Columbia University in the City of New York.
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All rights reserved.
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The "DiffPy-CMI" is distributed subject to the following license conditions:

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