Neighbor list with JAX #294
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added 2 commits
January 18, 2024 17:03
…ns of cell list and verlet list methods for generating neighborlists.
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This is a basic implementation of cell list and Verlet list methods for creating neighbor lists. It needs some work before it can be integrated into the main PySAGES workflow. There's a notebook
/pysages/nlist/testbench.ipynbwith a naive implementation of a hybrid Cell list/Verlet list method that should be easy to follow.