pairfinder module

Full Documentation for hippynn.interfaces.ase_interface.pairfinder module. Click here for a summary page.

class ASENeighbors(dist_hard_max)[source]

Bases: _DispatchNeighbors

compute_one(positions, cell)[source]
class ASEPairNode(name, parents, dist_hard_max, **kwargs)[source]

Bases: _DispatchNeighbors

auto_module_class

alias of ASENeighbors

parent_expander: ParentExpander = <hippynn.graphs.nodes.base.definition_helpers.ParentExpander object>
ASE_compute_neighbors(cutoff, positions, cell)[source]