Symmetry data and utilities related to crystallography and X-ray scattering
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Jul 7, 2023 - Mathematica
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reciprocal-space
Here are 6 public repositories matching this topic...
Reciprocal space-aware long-range modeling for crystalline property prediction (TMLR 2026)
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May 29, 2026 - Python
Python and MATLAB versions of a simple module to generate 3D reciprocal space maps.
material-design mapping crystallography materials-science x-ray-diffraction thin-film reciprocal-space thin-film-characterization
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Oct 17, 2022 - Python
MIEP - A Time-Resolved X-Ray Image Evaluation Program. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000509
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May 19, 2021 - MATLAB
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.
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Sep 27, 2026 - JavaScript
This is a Mathematica script to perform algebraic calculations of distances and angles between planes and directions in crystallography.
crystallography solid-state-physics powder-diffraction x-ray-diffraction polycrystal single-crystal-diffraction reciprocal-space crystalline-materials
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Apr 10, 2025 - Mathematica
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