structuretoolkit.analyse

structuretoolkit.analyse#

Functions

`get_equivalent_points`(structure, points[, ...])	param structure: The structure to analyse.
`get_ir_reciprocal_mesh`(structure, mesh[, ...])	param structure: The structure to analyse.
`get_primitive_cell`(structure[, symprec, ...])	param structure: The structure to analyse.
`get_spacegroup`(structure[, symprec, ...])	param structure: The structure to analyse.
`get_symmetry`(structure[, use_magmoms, ...])	param structure: The structure to analyse.
`get_symmetry_dataset`(structure[, symprec, ...])	param structure: The structure to analyse.
`group_points_by_symmetry`(structure, points)	This function classifies the points into groups according to the box symmetry given by spglib.
`symmetrize_vectors`(structure, vectors[, ...])	Symmetrization of natom x 3 vectors according to box symmetries

Modules

`structuretoolkit.analyse.distance`
`structuretoolkit.analyse.dscribe`
`structuretoolkit.analyse.neighbors`
`structuretoolkit.analyse.phonopy`
`structuretoolkit.analyse.pyscal`
`structuretoolkit.analyse.snap`
`structuretoolkit.analyse.spatial`
`structuretoolkit.analyse.strain`