Type

Type#

Group#

class PGInfoType(tag, international, schoenflies, crystal, setting, PG, SG, MPG, MSG, lattice, hexagonal_g, SO, SO_gen)#

Bases: tuple

Point Group info type.

class SGInfoType(tag, international, schoenflies, crystal, setting, PG, SG, MPG, MSG, lattice, hexagonal_g, SO, SO_gen)#

Bases: tuple

Space Group info type.

class MPGInfoType(tag, international, schoenflies, crystal, setting, PG, SG, MPG, MSG, lattice, hexagonal_g, type, SO)#

Bases: tuple

Magnetic Point Group info type.

class MSGInfoType(tag, BNS, OG, schoenflies, crystal, setting, PG, SG, MPG, MSG, lattice, hexagonal_g, type, SO)#

Bases: tuple

Magnetic Space Group info type.

Multipole#

class PGMultipoleType(X, l, Gamma, n, p, s, k, x)#

Bases: tuple

Point-group multipole type (type, rank, irrep, multiplicity, add_multiplicity, s, k, internal-type).

class SphericalMultipoleType(X, l, s, k, x)#

Bases: tuple

Spherical multipole type (type, rank, s, k, internal-type).

MaterialModel#

class RepSiteType(no, wyckoff, symmetry, position, orbital)#

Bases: tuple

Representative site type.

class CellSiteType(no, position, position_primitive, mapping, sublattice, plus_set)#

Bases: tuple

Cell site type.

class RepBondType(no, tail, head, neighbor, wyckoff, directional, vector, center, distance, t_rank, h_rank)#

Bases: tuple

Representative bond type.

class CellBondType(no, vector, vector_primitive, center, center_primitive, mapping, sublattice, plus_set, t_idx, h_idx, R_primitive)#

Bases: tuple

Cell bond type.

class BondInfoType(tail, head, neighbor, t_rank, h_rank)#

Bases: tuple

Bond info type.

class BraketInfoType(bh_rank, bh_idx, kt_rank, kt_idx)#

Bases: tuple

Braket info type.

class SAMBType(head, tail, wyckoff, bk_info)#

Bases: tuple

Combined SAMB type.

class UniqueSAMBType(samb_type, neighbor, n)#

Bases: tuple

Unique combined SAMB type.

Misc.#

class InternalBasisType(s, x)#

Bases: tuple

Internal basis type.

class IrrepListType(X, Gamma)#

Bases: tuple

Irrep list type.

class RepMatrixType(Gamma)#

Bases: tuple

Representation matrix type.

class SOMatrixType(X, s)#

Bases: tuple

Symmetry operation matrix type.

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