pySpinW API

Reference for the pyspinw Python package. Modules are grouped by role; follow any link for the detailed function and class reference.

Sample and structure

sample	Different Kinds of samples
basis	Functions for working with different basis vectors
site	Representation of sites (e.g. magnetic atoms) within a magnetic system.
sitemeta	Metadata for sites
cell_offsets	Cell offsets (i.e. reference to a particular unit cell in a crystal).
lattice_distances	Calculations for finding distances between sites in a lattice
structure	Magnetic structures
subsystems	Identification of subsystems of a collection of sites and exchanges

Exchange and Hamiltonian

exchange	Exchange terms between lattice sites.
exchangegroup	Groups of exchanges, a neater way of representing multiple, similar exchanges
exchangemetadata	Metadata for exchanges
batch_exchanges	Functions and classes for automatically creating multiple exchanges
hamiltonian	Selection of different Hamiltonians
anisotropy	Different kinds of anisotropy.

Calculations and spectroscopy

calculations	Functions for performing spin wave calculations.
polarisation	Calculates polarised cross-sections from Sab matrix
path	Paths through q-space.
experiment	Define experiment-level coordination between samples, instruments, and data.
instrument	Instrument specification
measurement	Description of measurements

Symmetry and I/O

symmetry	Symmetry module
cif	CIF File Loading
serialisation	Serialisation mixin
loading	Loading files in general

Utilities

checks	Tools for checking input shapes
constants	Mathematical constants used by pySpinW.
data	Data object - placeholder
interface	Helper functions for python interface
tolerances	Data for working with tolerances
units	Units
util	Generally helpful functions that don't obviously live anywhere else in particular