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tongzhugroup / mddatasetbuilder Public

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migrate to openbabel native pbc; support LAMMPS non-orthogonal box#152

Merged

njzjz merged 3 commits intotongzhugroup:mastertongzhugroup/mddatasetbuilder:masterfrom njzjz:openbabel_pbcnjzjz/mddatasetbuilder:openbabel_pbcCopy head branch name to clipboard

Oct 22, 2022

+61-25

Conversation Commits3 (3)Checks Files changed

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Commits on Oct 22, 2022

migrate to openbabel native pbc
njzjz
committed
remove import scipy
njzjz
committed
deprecate openbabel<3.1.0
njzjz
committed

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