indexing

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

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Layers for pair finding

Functions

padded_neighlist(pair_first, pair_second, ...)

Convert from index list pair_first, pair_second to index list of jlist where jlist has shape (n_atoms, n_neigh_max).

Classes

ExternalNeighbors(hard_dist_cutoff)	module for ASE-like neighbors list fed into the graph
MolPairSummer(*args, **kwargs)
PaddedNeighModule(*args, **kwargs)
PairCacher([n_images])
PairDeIndexer(*args, **kwargs)
PairReIndexer(*args, **kwargs)
PairUncacher([n_images])