API Reference

JAX-based RHEED simulation and analysis package.

Rheedium provides a comprehensive suite of tools for simulating and analyzing Reflection High-Energy Electron Diffraction (RHEED) patterns. Built on JAX, it offers differentiable simulations suitable for optimization and machine learning applications in materials science and surface physics.

Submodules

rheedium.audit

Physics-invariant checks and reference-image benchmarking for validating simulations.

rheedium.inout

Data input/output operations for crystal structures and RHEED images.

rheedium.plots

Visualization tools for RHEED patterns and crystal structures.

rheedium.recon

Surface reconstruction analysis and modeling utilities.

rheedium.simul

RHEED pattern simulation using kinematic and dynamical diffraction theory.

rheedium.tools

Utility tools for parallel processing and distributed computing.

rheedium.types

Custom type definitions and data structures for JAX compatibility.

rheedium.ucell

Unit cell and crystallographic computation utilities.

Examples

import rheedium as rh
crystal = rh.inout.parse_cif("structure.cif")
pattern = rh.simul.simulate_rheed_pattern(crystal)
rh.plots.plot_rheed(pattern)

Notes

All computations are JAX-compatible and support automatic differentiation for gradient-based optimization of crystal structures and simulation parameters.