==============
Supercell Step
==============
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A SEAMM plug-in for building supercells of periodic systems.
* Free software: BSD-3-Clause
* Documentation: https://molssi-seamm.github.io/supercell_step/index.html
* Code: https://github.com/molssi-seamm/supercell_step
Features
--------
* Currently only accepts na, nb, and nc, the numbers of cells in the
three directions.
* To do:
- Create a supercell with a minimum dimension, e.g. 10 Å.
- Create orthorhombic cells from hexagonal ones.
- Build using the primitive cell rather than conventional.
Acknowledgements
----------------
This package was created with Cookiecutter_ and the `molssi-seamm/cookiecutter-seamm-plugin`_ project template.
.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin
Developed by the Molecular Sciences Software Institute (MolSSI_),
which receives funding from the `National Science Foundation`_ under
award OAC-1547580 and CHE-2136142.
.. _MolSSI: https://www.molssi.org
.. _`National Science Foundation`: https://www.nsf.gov
=======
History
=======
2023.11.5 -- Updated to handle symmetry in systems
2021.2.12 --
* Updated the README file to give a better description.
* Updated the short description in setup.py to work with the new installer.
* Added keywords for better searchability.
2021.2.4 --
* Updated for compatibility with the new system classes in MolSystem
2021.2.2 release.
2020.12.5 --
* Added support for non-orthorhombic cells.
* Updated to be compatible with the new system classes in MolSystem.
* Internal: switching CI from TravisCI to GitHub Actions, and in the
process moving documentation from ReadTheDocs to GitHub Pages where
it is consolidated with the main SEAMM documentation.
0.9.1 -- 20 June 2020
* Bugfix: Was not properly copying charges to the new system.
0.9 -- 18 June 2020
* First release on PyPI.
* Working but only for orthorhombic cells
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