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TorchSim / torch-sim Public

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fix(neighbors): partial pbc and imports#591

Merged

CompRhys merged 5 commits into

TorchSim:mainTorchSim/torch-sim:mainfrom

lil-lon:fix/neighbor-partial-pbc-and-importslil-lon/torch-sim:fix/neighbor-partial-pbc-and-importsCopy head branch name to clipboard

Jul 21, 2026

Conversation Commits5 (5)Checks Files changed

Merged

fix(neighbors): partial pbc and imports#591
CompRhys merged 5 commits into
TorchSim:mainfrom
lil-lon:fix/neighbor-partial-pbc-and-imports

Commits

Commits on Jul 18, 2026

fix(neighbors): require nvalchemi-toolkit-ops 0.4.0 and drop the naive pbc workaround
lil-lon
committed
fix(neighbors): pass pbc per axis to vesin and fix the import for vesin 0.6
lil-lon
committed
test(neighbors): add partial pbc slab coverage and refactor dummy-cell molecules
lil-lon
committed
refactor(neighbors): import nvalchemiops from its public path and drop the fallback
lil-lon
committed
fix(neighbors): pass cutoff to VesinNeighborList as a keyword for vesin 0.6
lil-lon
committed

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