semvec/pypi-packages huggingface dataset:
reaction-path-step 2024.12.14
A SEAMM plugin for finding transition states and reaction paths
License: BSD-3-Clause
Keywords: SEAMM, SEAMMplugin, flowchart

===========================
SEAMM Reaction Path Plug-in
===========================

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A SEAMM plugin for finding transition states and reaction paths

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

Features
--------

* Please edit this section!

Acknowledgements
----------------

This package was created with the `molssi-seamm/cookiecutter-seamm-plugin`_ tool, which
is based on the excellent Cookiecutter_.

.. _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
=======

2024.12.14 -- Enhancements to control and to output
    * Cleaned up the control parameters to make them more consistent, and updated
      defaults to better values based on experience.
    * Cleaned up the output.
      
2024.8.4 (2024-08-04)
---------------------

* Plug-in created using the SEAMM plug-in cookiecutter.