energy-scan-step

A SEAMM plug-in for calculating energy profiles along coordinates


Keywords
SEAMM, SEAMMplugin, flowchart
License
BSD-3-Clause
Install
pip install energy-scan-step==2024.5.23

Documentation

SEAMM Energy Scan Plug-in

GitHub pull requests

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PyPi VERSION

A SEAMM plug-in for calculating energy profiles along coordinates

Features

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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.