dispatch

This is summary documentation for hippynn.layers.pairs.dispatch module. Click here for full documentation.

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System-by-system pair finders

Functions

neighbor_list_kdtree(cutoff, coords, cell)	Use KD Tree implementation from scipy.spatial to find pairs under periodic boundary conditions with an orthorhombic cell.
neighbor_list_np(cutoff, coords, cell)
wrap_points_np(coords, cell, inv_cell)

Classes

KDTreeNeighbors(dist_hard_max)	Node for finding pairs under periodic boundary conditions using Scipy's KD Tree algorithm.
KDTreePairsMemory(skin[, dist_hard_max, ...])	Implementation of KDTreePairs with an added memory component.
NPNeighbors(dist_hard_max)
TorchNeighbors(dist_hard_max)