ElectronicPropertiesContainer#

class ElectronicPropertiesContainer[source]#

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.