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libAtoms / testing-framework

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multiple test sets #3

Closed bernstei closed 3 years ago

bernstei commented 3 years ago

Small changes to run-all.py to be a bit more versatile with test sets (useful for multicomponent, so you don't have to duplicate the elemental test sets).

bernstei commented 3 years ago

BTW, the current state of run-all.py and run-model-test.py, in particular assumptions they make about paths, is terrible.

gabor1 commented 3 years ago

I agree they could be made smarter. I have always ran them from some test directory, above which there was the models directory.

bernstei commented 3 years ago

Ready to merge as far as I can tell. Anyone want to check it over, or should I go ahead?

gabor1 commented 3 years ago

looks reasonable to me, I am merging it.