pengwann.interactions.AtomicInteractionContainer.filter_by_species

interactions.AtomicInteractionContainer.filter_by_species(symbols)

Return a subset of AtomicInteraction objects filtered by atomic species.

For a given interaction to be returned by this function, its associated elemental symbols must be a subset of symbols.

Parameters:

symbolstuple of str

The elemental symbols used to filter the AtomicInteraction objects.

Returns:

filtered_interactionstuple of AtomicInteraction

The subset of AtomicInteraction objects selected according to the input symbols.

Notes

This function will always return a tuple of AtomicInteraction objects even if it has len() = 1.