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Dictionary of which element pairs to fit is randomly ordered #14

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ThijsSmolders opened this issue Nov 23, 2022 · 0 comments

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ThijsSmolders commented Nov 23, 2022

For example, the following output is generated, but the order of the elements is random and can not be initialised in a consistent manner.

Generating one-body information from training-set.
Added elements: O C H Li
Generating two-body potentials from one-body information.

ThijsSmolders closed this as completed

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