Neighbor list (functional)#297

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arminshzd wants to merge 5 commits intoSSAGESLabs:mainfrom

arminshzd:nlist_func

Commits on Jan 18, 2024

initial commit of the nlist submodule. Contains initial implementations of cell list and verlet list methods for generating neighborlists.

Armin Shayesteh Zadeh
authored and
Armin Shayesteh Zadeh
committed
Reworked initialization and update of CellList object. Cleaner now.

Armin Shayesteh Zadeh
authored and
Armin Shayesteh Zadeh
committed

Commits on Feb 8, 2024

Rewrite of the nlist branch in functional form.
arminshzd
committed

Commits on Feb 15, 2024

Fix to minimum image convention in verlet list method.
arminshzd
committed

Commits on Feb 16, 2024

Added jax_md comparisons. Changed the _is_neighbor criterion to <cutoff rather than <=cut_off
arminshzd
committed