New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Add in metadynamics for determining if analytes are stable #23

Open

WardLT opened this issue Jul 22, 2021 · 0 comments

Collaborator

WardLT commented Jul 22, 2021

Rajeev recommends using XTB for this

https://xtb-docs.readthedocs.io/en/latest/mtd.html

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment