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Published 20 hours ago • verified publisher icon pyiron

Give installation warning when no library potential found

Open samwaseda opened this issue 1 year ago • 2 comments

samwaseda avatar Nov 23 '23 10:11 samwaseda

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%
<!-- Total: 1 2
Totals Coverage Status
Change from base Build 6967077376: -0.003%
Covered Lines: 10717
Relevant Lines: 15626
💛 - Coveralls

coveralls avatar Nov 23 '23 10:11 coveralls

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?

samwaseda avatar Nov 24 '23 08:11 samwaseda