A SEAMM plugin for finding transition states and reaction paths
Project description
SEAMM Reaction Path Plug-in
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
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.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.
History
2026.3.1 – Internal: switching from deprecated library pkg_resources to importlib
- 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.
Release history Release notifications | RSS feed
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