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Implement hyperparameter optimization of powers of interatomic distances #18

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adabbott opened this issue Jul 8, 2019 · 0 comments
Open

Implement hyperparameter optimization of powers of interatomic distances #18

adabbott opened this issue Jul 8, 2019 · 0 comments

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@adabbott
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adabbott commented Jul 8, 2019

This paper suggests that optimizing the powers of interatomic distances can improve fitting error. Implement this as a hyperparameter when Morse functions are not used, and enable with a keyword option.
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