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deepmodeling / deepmd-kit Public

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Fix PT `DeepPot` and replace ASE calculator#3186

Merged

wanghan-iapcm merged 3 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom njzjz:pt-asenjzjz/deepmd-kit:pt-aseCopy head branch name to clipboard

Jan 27, 2024

+42-69

Conversation Commits3 (3)Checks Files changed

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Commits on Jan 27, 2024

Replace deepmd.pt.utils.ase_calc with deepmd.calculator
njzjz
committed
fix virial shape
njzjz
committed
add tests for DeepPot
njzjz
committed

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