lattice_data

Full name: ase2sprkkr.physics.lattice_data

Module class hierarchy

Inheritance diagram of ase2sprkkr.physics.lattice_data.LatticeData, ase2sprkkr.physics.lattice_data.Pearson

Description

This module contains various crystalographics classifications, and the LatticeData object, that provides various informations about a lattice.

Module Attributes

international_numbers_to_AP

Translation of international tables numbers to A.

hall_numbers_to_AP

Xband AP numbers keyed by Hall number for the full Hall-number range 1..530.

Functions

ap_number_from_spacegroup(spacegroup_number)

Return the Xband A.

reorder_matrix(target, source)

Classes

LatticeData(atoms)

Pearson(pearson_symbol, bravais_number, ...)

This class holds informations about translation symmetry of a lattice with a given Pearson symbol.