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deepmodeling / dpdata Public

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add psi4/out format#457

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wanghan-iapcm merged 5 commits into

deepmodeling:develdeepmodeling/dpdata:develfrom

njzjz:psi4njzjz/dpdata:psi4Copy head branch name to clipboard

Apr 23, 2023

Conversation Commits5 (5)Checks Files changed

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add psi4/out format#457
wanghan-iapcm merged 5 commits into
deepmodeling:develfrom
njzjz:psi4

atom_types is numpy array

dd6d285

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