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Neighbor list (functional) #297

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Neighbor list (functional) #297

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Commits on Jan 18, 2024

  1. initial commit of the nlist submodule. Contains initial implementatio… 

    …ns of cell list and verlet list methods for generating neighborlists.
    Armin Shayesteh Zadeh authored and Armin Shayesteh Zadeh committed Jan 18, 2024
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  2. Reworked initialization and update of CellList object. Cleaner now.

    Armin Shayesteh Zadeh authored and Armin Shayesteh Zadeh committed Jan 18, 2024
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Commits on Feb 8, 2024

  1. Rewrite of the nlist branch in functional form.

    @arminshzd
    arminshzd committed Feb 8, 2024
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Commits on Feb 15, 2024

  1. Fix to minimum image convention in verlet list method.

    @arminshzd
    arminshzd committed Feb 15, 2024
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Commits on Feb 16, 2024

  1. Added jax_md comparisons. Changed the _is_neighbor criterion to <cuto… 

    …ff rather than <=cut_off
    @arminshzd
    arminshzd committed Feb 16, 2024
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