semvec/pypi-packages huggingface dataset:
strain-step 2022.11.7
A SEAMM plug-in for straining periodic systems
License: BSD-3-Clause
Keywords: SEAMM,SEAMMplugin,flowchart

====================
SEAMM Strain Plug-in
====================

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A SEAMM plug-in for straining periodic systems.

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

Features
--------

Applies an arbitrary strain to the system, using input in `Voigt notation`_. Note the
factor of two in the engineering shear strains, which is the normal convention used in
simulations. Other than that, there really isn't much to say about this plug-in! It is
simple, and it works.

.. _`Voigt notation`: https://en.wikipedia.org/wiki/Voigt_notation

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 CHE-2136142.

.. _MolSSI: https://molssi.org
.. _`National Science Foundation`: https://www.nsf.gov


=======
History
=======

2022.11.7 -- Initial release
  First version, which handles straining systems moving the atoms affinely.