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Matgenix / atomate2 Public

forked from materialsproject/atomate2

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[WIP] Basic LAMMPS flows implementation#1

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ml-evs wants to merge 6 commits intomainMatgenix/atomate2:mainfrom ml-evs/add_lammpsMatgenix/atomate2:ml-evs/add_lammpsCopy head branch name to clipboard

+251

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Nov 22, 2022

LAMMPS jobflow skeleton
ml-evs
committed
More placeholder skeletons for LAMMPS
ml-evs
committed
Beef up run_lammps and LammpsSettings
ml-evs
committed
Temporarily patch pymatgen add-on name
ml-evs
committed
Migrate to atomate2
ml-evs
committed
Stubs for tests
ml-evs
committed

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