Skip to content
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

Which method is more suitable for retraining? #209

Open
ivan-pikulin opened this issue Mar 7, 2025 · 0 comments
Open

Which method is more suitable for retraining? #209

ivan-pikulin opened this issue Mar 7, 2025 · 0 comments

Comments

@ivan-pikulin
Copy link

I want to fine-tune the xtb method for calculations of systems containing actinides. First, I want to practice on lanthanides, because at least there are some parameters for them already.

Which method would you recommend to use: GFN 1 or GFN 2?
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@ivan-pikulin