==================
SEAMM VASP Plug-in
==================
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.. image:: https://img.shields.io/pypi/v/vasp_step.svg
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A SEAMM plug-in for VASP
* Free software: BSD-3-Clause
* Documentation: https://molssi-seamm.github.io/vasp_step/index.html
* Code: https://github.com/molssi-seamm/vasp_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
=======
2025.11.2: Small improvements and better output.
* Added missing precision control
* Added control over using HDF5 files
* Improved the output, particularly for optimization
* Standardized pressure and stress units to GPa
* Changed some of the defaults to make standard calculations work better.
2025.10.31: Added optimization and improved the output.
2025.10.22: First working version
* Handles single point energies reasonably well.
2025.10.12: Plug-in created using the SEAMM plug-in cookiecutter.
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