ElectronicPropertiesContainer

class ElectronicPropertiesContainer

Bases: PropertiesContainer

The container class for electronic structure properties.

Attributes

angular_momentum

Returns the angular momentum property.

electronic_density

Returns the electronic density property.

electronic_dipole_moment

Returns the electronic dipole moment property.

magnetization

Returns the magnetization property.

particle_number

Returns the particle number property.

Methods

add(value)

Add an element.

clear()

This is slow (creates N new iterators!) but effective.

discard(value)

Remove an element. Do not raise an exception if absent.

isdisjoint(other)

Return True if two sets have a null intersection.

pop()

Return the popped value. Raise KeyError if empty.

remove(value)

Remove an element. If not a member, raise a KeyError.