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materialsproject / atomate2 Public

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Reorganize forcefield tests#1388

Merged

esoteric-ephemera merged 18 commits intomainmaterialsproject/atomate2:mainfrom

ff-mgmtmaterialsproject/atomate2:ff-mgmtCopy head branch name to clipboard

Feb 19, 2026

Conversation Commits18 (18)Checks Files changed

Merged

Reorganize forcefield tests#1388
esoteric-ephemera merged 18 commits intomainfrom
ff-mgmt

Commits

Commits on Feb 18, 2026

first attempt reorganizing mlff ci
esoteric-ephemera
committed
fix wf file
esoteric-ephemera
committed
tweak ff workflow file
esoteric-ephemera
committed
typos
esoteric-ephemera
committed
ensure torch dftd is installed with mace
esoteric-ephemera
committed
separate mlff neb tests
esoteric-ephemera
committed
annotations in pyproject for future dev work; make phonon tutorial only use matgl since these dep groups are split
esoteric-ephemera
committed
reorg phonon tests
esoteric-ephemera
committed
revert to numpy<2
esoteric-ephemera
committed
try numpy>2 with numba pin
esoteric-ephemera
committed
documentation on fairchem + test data should a user install it, correct APIs to some MLIPs, try to test nequip in CI
esoteric-ephemera
committed
nequip broken api syntax yet again?
esoteric-ephemera
committed
mattersim tests
esoteric-ephemera
committed

Commits on Feb 19, 2026

bump deps
esoteric-ephemera
committed
other mattersim tests
esoteric-ephemera
committed
organize + expand ff docs + fix mattersim test tol
esoteric-ephemera
committed
forcefield dev notes + add on notes
esoteric-ephemera
committed
precommit
esoteric-ephemera
committed

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