Module

Character Table

multipie.character.character_pg

CharacterPG manages point-group character table.

Group

multipie.group.point_group	PointGroup manages point group.
multipie.group.space_group	SpaceGroup manages space group.

Harmonics

multipie.harmonics.harmonics_pg	HarmonicsPG manages a set of point-group harmonics (real).
multipie.harmonics.harmonics	Harmonics manages point-group harmonics.

Model

multipie.model.create_model	create model view, info, and basis.
multipie.model.construct_model	construct model from matrx dict.
multipie.model.material_model	MaterialModel manages model information of cluster or crystal system.
multipie.model.symmetry_adapted_model	SymmetryAdaptedModel manages symmetry adapted multipole basis set for cluster or crystal system.
multipie.model.multipie_manager	FileManager manages current directory and formatter.

Multipole

base

multipie.multipole.base.base_atomic_multipole_set

BaseAtomicMultipoleSet manages a set of atomic multipoles for lm, jm, cubic, and hexagonal basis.

utility

multipie.multipole.util.atomic_orbital_util	This file provides utility functions for atomic orbital.
multipie.multipole.util.atomic_samb_util	This file provides utility functions for calculation of atomic multipole basis set.
multipie.multipole.util.multipole_util	This file provides utility functions for multipole basis set.
multipie.multipole.util.pauli	This file provides Pauli matices.
multipie.multipole.util.spin_orbital_basis	This file provides basis list of spin-orbital space.
multipie.multipole.util.structure_samb_util	This file provides utility functions for calculation of structure multipole basis set.
multipie.multipole.util.z_samb_util	This file provides utility functions for combined multipole set.

Response tensor

multipie.response_tensor.response_tensor_pg

ResponseTensorPG manages physical response tensors upto rank 4.

Symmetry operations

multipie.symmetry_operation.symmetry_operation_g	SymmetryOperationG manages point/space-group symmetry operations.
multipie.symmetry_operation.symmetry_operation	SymmetryOperation manages symmetry operation.

Tag

multipie.tag.tag_group	TagGroup manages tag of group.
multipie.tag.tag_irrep	TagIrrep manages tag of irreducible representation.
multipie.tag.tag_multipole	TagMultipole manages tag of multipole.
multipie.tag.tag_response_tensor	TagResponseTensor manages tag of response tensor.
multipie.tag.tag_symmetry_operation	TagSymmetryOperation manages tag of symmetry operation.
multipie.tag.tag_wyckoff	TagWyckoff manages tag of wyckoff position.
multipie.tag.tag_list	This file provides utility functions for tag.

Virtual cluster

multipie.virtual_cluster.virtual_cluster_pg

VirtualClusterPG manages point-group virtual cluster (real).

Wyckoff position

multipie.wyckoff.wyckoff_g

WyckoffG manages point/space-group Wyckoff positions (conventional, reduced coordinate).