Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
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Updated
Jun 6, 2026 - Python
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
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.
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
A python package in development for the simulation of magnetic neutron diffraction from crystals generated with CIF files.
A Program for the Calculation of Effective One-Particle Potentials (OPPs)
Multi-circle diffractometer geometry and related calculations
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