API reference

Release:

Date: May 26, 2026

This reference manual describes the public functions, modules, and objects in diffsims. Some of the descriptions include brief examples. For learning how to use diffsims, see the demos.

Caution

diffsims is in continuous development, meaning that some breaking changes and changes to this reference are likely with each release.

Modules

crystallography	Generation of reciprocal lattice vectors (crystal plane, reflector, g, hkl) for a crystal structure.
generators	Generation of diffraction simulations and libraries, and lists of rotations.
libraries	Diffraction, structure and vector libraries.
pattern	Addition of noise to patterns.
sims	Diffraction simulations.
simulations	Kinematic Diffraction Simulation Results.
structure_factor	Calculation of scattering factors and structure factors.
utils	Diffraction utilities used by the other modules.