Skip to content

Update Readme for RXMD-NN #60

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
Open
TaufeqRazakh wants to merge 3 commits into
base: nn-algo
Choose a base branch
from
Open

Update Readme for RXMD-NN #60

TaufeqRazakh wants to merge 3 commits into from

Conversation

@TaufeqRazakh
Copy link
Member

@TaufeqRazakh TaufeqRazakh commented Oct 7, 2025

Includes steps to:

  • build with the new CMake
  • generate initial geometry with the geninit.py python script
  • use MLIP model and specify the rxmdnn.in file
    Also included is steps to build on Aurora

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

Reviewers

No reviews

Assignees

No one assigned

Labels

None yet

Projects

None yet

Milestone

No milestone

Development

Successfully merging this pull request may close these issues.

1 participant

@TaufeqRazakh