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

Give installation warning when no library potential found #1218

Draft
wants to merge 3 commits into
base: main
Choose a base branch
from
Draft

Give installation warning when no library potential found #1218

wants to merge 3 commits into from

Conversation

samwaseda
Copy link
Member

No description provided.

@coveralls
Copy link

Pull Request Test Coverage Report for Build 6968292903

  • 1 of 2 (50.0%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage decreased (-0.003%) to 68.584%
Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/lammps/potential.py 1 2 50.0%
Totals Coverage Status
Change from base Build 6967077376: -0.003%
Covered Lines: 10717
Relevant Lines: 15626
💛 - Coveralls

niklassiemer
niklassiemer reviewed Nov 24, 2023
View reviewed changes
Copy link
Member

@niklassiemer niklassiemer left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Thanks for looking into this!
However, If I now use some weird structure with a mixture of rare earth elements or the like, I probably find myself without a valid potential?!

@samwaseda
Copy link
Member Author

Thanks for looking into this! However, If I now use some weird structure with a mixture of rare earth elements or the like, I probably find myself without a valid potential?!

Yeah that's true. In that. case job.list_potentials() will not show any potential. Do you think we need a warning there as well?

@jan-janssen jan-janssen marked this pull request as draft February 14, 2024 15:25
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@niklassiemer niklassiemer niklassiemer left review comments

@jan-janssen jan-janssen Awaiting requested review from jan-janssen

Assignees
No one assigned
Labels
code_smell
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
3 participants
@samwaseda @coveralls @niklassiemer