semvec/pypi-packages huggingface dataset:
set-cell-step 2021.10.14
A SEAMM plug-in for setting the periodic (unit) cell.
License: BSD-3-Clause
Keywords: SEAMM,plug-in,flowchart,unitcell,crystal,atomistic

======================
SEAMM Set Cell Plug-in
======================

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A SEAMM plug-in for setting the periodic (unit) cell.

* Free software: BSD-3-Clause
* Documentation: https://molssi-seamm.github.io/set_cell_step/index.html
* Code: https://github.com/molssi-seamm/set_cell_step

Features
--------

* Setting the cell parameters

  - Explicitly.
  - To a given volume or density.
  - Uniformly expanding or contracting the cell.

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
=======

2021.2.12 (12 February 2021)
----------------------------

* 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 (4 February 2021)
--------------------------

* Updated for compatibility with the new system classes in MolSystem
  2021.2.2 release.

2020.12.5 (5 December 2020)
---------------------------

* 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.


2020.11.13 (13 November 2020)
-----------------------------

* First release on PyPI.