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Save Potential with test set #1

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cortner opened this issue Jan 14, 2022 · 0 comments
Open

Save Potential with test set #1

cortner opened this issue Jan 14, 2022 · 0 comments
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cortner commented Jan 14, 2022

add the option to create a small test set stored with a potential to test upon loading that the potential evaluates correctly. This would in particular be a mechanism to ensure compatibility across versions of ACE1.jl.
@cortner cortner added this to the 1.0 milestone Jan 14, 2022
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