A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
This plug-in provides a graphical user interface (GUI) for choosing the forcefield or EAM potentials use by subsequent simulation steps.
- Free software: BSD license
- Documentation: https://molssi-seamm.github.io/forcefield_step/index.html
- Support for PCFF class II forcefield.
- Support for OpenKIM and the potentials it supports.
- For OpenKIM potentials choice is managed through a periodic table interface, making it simple to find the right potentials.
This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580