ProjectionGenerator¶
- class ProjectionGenerator(spin=None, atoms=None, l_quantum_numbers=None, m_quantum_numbers=None)¶
Initialize the class by defining which components to iterate over when generating the list of projections.
- Parameters:
spin (None |
UpDownProjection
|XYZProjection
|False
) – Determine whether to iterate over spin components when generating the list of projections. This can be done either on the up/down components or on the x/y/z Pauli spin matrices. IfFalse
, the spin projection will beSpin.Sum
. Default:False
atoms (None |
SitesProjection
|TagsProjection
|ElementsProjection
|False
) – Determine whether to iterate over atoms when generating the list of projections. This can be done either by individual sites, tags present in the configuration, or element types. Default:False
l_quantum_numbers (None | bool) – Determine whether to iterate over shells when generating the list of projections. Default:
False
m_quantum_numbers (None | bool) – Determine whether to iterate over orbitals when generating the list of projections. Default:
False
- generate(configuration)¶
Generate and return the list of projections for a given configuration.
- Parameters:
configuration (
BulkConfiguration
|MoleculeConfiguration
) – The bulk configuration with an attached calculator defining the basis for which to generate the list of projections.- Returns:
The list of projections.
- Return type:
list of
Projection
- uniqueString()¶
Return a unique string representing the state of the object.