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.

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

Change "relax_cell" to false in ML relaxation #292

Open
JaGeo opened this issue Dec 11, 2024 · 1 comment
Open

Change "relax_cell" to false in ML relaxation #292

JaGeo opened this issue Dec 11, 2024 · 1 comment

Comments

@JaGeo
Copy link
Collaborator

JaGeo commented Dec 11, 2024

I haven't found a good way to set the relax_cell to false in the relaxation of the ML phonon workflow. Is this currently possible?
We should definitely enable it if it isn't possible yet.

@QuantumChemist
Copy link
Collaborator

QuantumChemist commented Dec 11, 2024

I'll check it out and maybe add it in #280

I'll add instructions to the docs

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants