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Module crystal_symmetry

Module crystal_symmetry 

Source
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Optional crystallographic-symmetry services backed by cryspglib.

Enable the Cargo feature cryspglib to make this module available. The adapter analyzes atomic sites, not Wannier/orbital centers. Structure symmetry and tight-binding Hamiltonian symmetry are deliberately separate: the results here do not assert that H(k) transforms under every detected operation.

Structs§

CrystalSymmetryDataset
Rustb-owned result of non-magnetic crystallographic analysis.
CrystalSymmetryOperation
One crystallographic Seitz operation {R|t}.
ExternalFields
Optional uniform Cartesian fields present during symmetry analysis.
HighSymmetryKPoint
A high-symmetry reciprocal-space record.
IrreducibleKMesh
Symmetry-reduced reciprocal mesh with explicit multiplicities and weights.
MagneticCrystalSymmetry
Rustb-owned magnetic-space-group analysis.
SymmetryParameters
Numerical parameters for crystallographic symmetry analysis.

Enums§

MagneticGroupType
Magnetic-space-group type without exposing cryspglib’s pre-1.0 enum.
MagneticTableColumns
Column grouping for magnetic character tables.

Traits§

CrystalSymmetry
Structure-level symmetry services for a three-dimensional Rustb model.