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pfnet-research / torch-dftd Public

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[WIP] Cell-related gradient modifications#12

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So-Takamoto wants to merge 4 commits intopfnet-research:masterpfnet-research/torch-dftd:masterfrom So-Takamoto:shift_rewriteSo-Takamoto/torch-dftd:shift_rewriteCopy head branch name to clipboard

+108-72

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Sep 16, 2021

use shift for derivative variable instead of cell
So-Takamoto
committed
modify pymatgen version
So-Takamoto
committed
remove debug code
So-Takamoto
committed
remove debug code
So-Takamoto
committed

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