rogers.neighborsΒΆ

Functions

bin_points(n_mesh_div, pos, cell, celmsh, ...)

Bin the points into their respective mesh-cells.

compact(nnas, jans, order, max_pairs_cap)

estimate_ncr(n, vol, cutoff)

Estimate the optimal value of NCR, the ratio of cutoff to mesh cell size.

find_all(i0, cutoff, in_mesh_pos, celmsh, ...)

Vectorized version of find_neighbors_single.

find_neighbors_single(i0, cutoff, ...)

Find all neighbors of a given point within a certain radius.

Classes

NeighborCalculator()

Calculates neighbor lists for a set of points in 3D space.

NeighborList(first, second)

Holds a neighbor list in which (first[i], second[i]) is a neighboring pair.