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add the option to create a small test set stored with the potentials to test upon loading that the potential evaluates correctly. This would be intended to ensure compatibility across versions of ACE.jl
The text was updated successfully, but these errors were encountered:
add the option to create a small test set stored with the potentials to test upon loading that the potential evaluates correctly. This would be intended to ensure compatibility across versions of ACE.jl
The text was updated successfully, but these errors were encountered: