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metatensor / lammps Public

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Enable `compute metatomic`#46

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GardevoirX wants to merge 6 commits into

metatomicmetatensor/lammps:metatomicfrom

computemetatensor/lammps:computeCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

Enable `compute metatomic`#46
GardevoirX wants to merge 6 commits into
metatomicfrom
compute

Commits

Commits on Mar 25, 2026

A (at least) compilable versiron of `compute metatomic`
GardevoirX
committed

Commits on Mar 27, 2026

A version tested with global scalar, atomic scalar, and atomic vector
GardevoirX
committed
Reuse the shared code of `add_masses` and `add_momenta`
GardevoirX
committed

Commits on Mar 28, 2026

Give names to the property label of the requested input's tensormap
GardevoirX
committed
Update the lj potential and wrapped with heat flux calculation
GardevoirX
committed
A version able to output global and atomic scalars and vectors
GardevoirX
committed

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