A SEAMM plug-in for Wigner/thermal normal-mode sampling of the Hessian to generate displaced structures (e.g. for MLFF training sets)
- Free software: BSD-3-Clause
- Documentation: https://molssi-seamm.github.io/normal_mode_sampling_step/index.html
- Code: https://github.com/molssi-seamm/normal_mode_sampling_step
- Please edit this section!
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.