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

DataObjects should support multiple COs #28

Open
jvita opened this issue Feb 9, 2023 · 0 comments
Open

DataObjects should support multiple COs #28

jvita opened this issue Feb 9, 2023 · 0 comments

Comments

@jvita
Copy link
Member

jvita commented Feb 9, 2023

This may be able to be postponed for now, however I can definitely imagine use-cases where it would be necessary:

  • PI = migration barrier, COs = NEB images
  • PI = elastic constants, COs = strained configurations
  • PI = energy difference, COs = start/end configurations (note: although the *-energy PDs allow for reference energies, it may be important to be able to explicitly state the corresponding reference configuration)
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

1 participant