Guide
The interface and the workflow: loading structures, the grid and scattering settings, the views, comparing with data and exports.
Examples
Worked examples with the shipped files: LiFeO₂, CaTiO₃, PMN, MnO and Fe spins, and the Pt chains of KCP.
Theory
The equations behind the calculator: total and diffuse intensity, magnetic scattering, normalization and Laue symmetrization.
Supplementary
Backend provenance, scattering-table families and reproducibility notes.
Bibliography
Formal references for the calculation, the scattering tables, RMC and the software the calculator uses.
Troubleshooting
Common issues and fixes: WebGPU, results that differ between backends, slow runs and files that are not recognized.
Precision notice: the WebGPU FFT/NUFFT stack and the CPU FFT path use
fp32 arithmetic. For important scientific checks, compare against the Exact sum backend on a small grid.More tools from the Utilities collection
These companion tools live in the MaximEremenko/Utilities repository.