A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
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Apr 13, 2021 - C++
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structure-factor
Here are 12 public repositories matching this topic...
LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
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Jan 29, 2026 - Python
MATLAB Code to Simulate Basic XRD Patterns
simulation crystallography easy-to-use materials-science x-ray-diffraction xrd diffraction structure-factor
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Dec 24, 2019 - MATLAB
C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.
clustering molecular-dynamics lammps glasses radial-distribution-function molecular-modeling spatial-decomposition structure-factor mean-square-displacement polymer-structure molecular-dynamics-analysis lammps-tool lammps-trajectory molecular-property-prediction polymer-dynamics
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Feb 6, 2026 - C++
Compute structure factor of stationary and isotropic point processes
python-package spatial-statistics structure-factor point-processes hyperuniformity stochastic-geometry
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Jan 19, 2024 - Python
spatialstats is collection of statistical tools and utility routines used to analyze the multi-scale structure of 2D and 3D spatial fields and particle distributions.
statistical-mechanics numba spectral-analysis correlation-functions particle-simulation cupy field-theory bispectrum structure-factor condensed-matter-physics powerspectrum polyspectra 3d-spatial-fields
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Aug 2, 2022 - Python
Julia library that provides routines to calculate the structure factor of liquids
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Dec 3, 2021 - Julia
A package to calculate typical pair correlations, such as Percus-Yevick, and to calculate specific particle configurations from a given pair correlation.
statistical-mechanics disorder structure-factor particulate random-media pair-correlation pair-correlation-function disordered-material
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Jan 14, 2026 - Julia
Scatterkit does SAXS and other scattering analysis of molecular dynamics simulations
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Jan 20, 2026 - Python
My collection of functions commonly encountered in C/C++ programs for physical modelling and simulation.
interpolation read-data bisection import-data structure-factor correlation-function read-column-data header-recognition moments-of-inertia lattice-structures
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Jun 23, 2025 - C
SAS analysis toolkit for different models with bootstrap uncertainty, structure factors, and HPC cluster support. Optimized C extensions for efficient scattering calculations.
python slurm scientific-computing computational-physics data-analysis materials-science uncertainty-quantification nanoparticles hpc-cluster structure-factor bootstrap-analysis small-angle-scattering c-extensions scattering-models sas-analysis core-shell-cylinder sasview hayter-msa
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Oct 31, 2025 - Python
Provides Python routines for estimating the structure factor of stationary spatial point processes using multitaper and kernel estimators.
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Nov 11, 2025 - Python
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