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Hello developers, I would like to ask about the code of calculating the maximum deviation of the model in dpgen? Could you please show me where the specific location is? |
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Answered by
njzjz
Apr 25, 2023
Replies: 1 comment 1 reply
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Deviation is not calculated within DP-GEN. Instead, it is calculated by DeePMD-kit. |
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1 reply
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Many thanks for your reply. |
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Answer selected by
Daisy315
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Deviation is not calculated within DP-GEN. Instead, it is calculated by DeePMD-kit.
https://github.com/deepmodeling/deepmd-kit/blob/16e91332dc335687d523c22a8a7d74ea74694b6b/source/api_cc/src/DeepPot.cc#L1780