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1. gpuscatter gpuscatter Public template

   GPU-accelerated diffuse scattering from MD trajectories: S(q, ω), 3D-ΔPDF, and phonon dispersion

   Python 4 1

2. LocalOctaTilt-Python LocalOctaTilt-Python Public

   Python implementation of LocalOctaTilt - diffuse scattering simulation for perovskites with GPU acceleration

   Python

3. rspace3d rspace3d Public

   3D reciprocal-space volumes for single-crystal diffuse scattering: reconstruct from raw CrysAlisPro rotation frames or assemble unwarp layers, then symmetrise, view and save as HDF5.

   Python

4. xrays-on-detector xrays-on-detector Public

   Six-circle diffractometer simulation: which reflections are excited and where they land on the detector, from a CIF or a measured S(q) volume. Virtual instrument and browser build.

   JavaScript