neutron-diffraction 开源项目推荐（13 个）

seto77 /ReciPro

The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates diffraction patterns and TEM image, indexes diffraction spots, plots stereographic projection, and so on.

AdvancedPhotonSource /GSAS-II

GSAS-II 的归处：材料的晶体学与衍射结构表征

AdvancedPhotonSource /GSAS-II-buildtools

Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries

seto77 /PDIndexer

PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.

seto77 /IPAnalyzer

IPAnalyzer converts Debye-Scherrer ring images from imaging plates and flat-panel detectors into 1D diffraction profiles, calibrates the measurement geometry, and works with PDIndexer.

bracerino /xrdlicious

Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.

neutrons /subhkl

Solving crystal orientation from 2D Laue diffraction images

bingli621 /mcstas_to_sqe

Monte Carlo simulation of neutron scattering instruments, from McStas to S(Q,E).

dewiedem /calcopp

A Program for the Calculation of Effective One-Particle Potentials (OPPs)

BCDA-APS /ad_hoc_diffractometer

Multi-circle diffractometer geometry and related calculations

kinjo-tohoku /kaisetsu

kaisetsu: 初心者向け・日本語対応の粉末回折解析プログラム(Rietveld / PDF / MEM、Windows、MIT)

drthyang /materia-platform

Crystal and magnetic structure refinement in the browser: Rietveld, single-crystal F², magnetic structures and PDF/mPDF on one TypeScript engine, checked against GSAS-II, FullProf, SHELXL and PDFfit2. With an AI Copilot (local or cloud models, 60 tools) and a 41-tool MCP server. Nothing to install.

jsturt /MANDY-Magnetic-Neutron-Diffraction

A python package in development for the simulation of magnetic neutron diffraction from crystals generated with CIF files.