=============================
SEAMM Thermochemistry Plug-in
=============================
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A SEAMM plug-in for Thermochemistry
* Free software: BSD-3-Clause
* Documentation: https://molssi-seamm.github.io/thermochemistry_step/index.html
* Code: https://github.com/molssi-seamm/thermochemistry_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
=======
2025.1.31: Add properties and other results.
* Added ZPE, H, G, S, P, T, number of saddle point modes, and the transition states
frequency (for transition states) to the results.
2024.12.22: First real release.
2024.10.17 (2024-10-17)
-----------------------
* Plug-in created using the SEAMM plug-in cookiecutter.
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