structure-factor

Here are 3 public repositories matching this topic...

dssimmons-codes / AMDAT

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

Updated Jul 21, 2026
C++

NaveenKaliannan / StructureFactor

Star

A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)

radial-distribution-function fourier-transformation structure-factor

Updated Apr 13, 2021
C++

MartinPdeS / PackLab

Sponsor

Star

Python/C++ toolkit for 3D hard-sphere systems: Percus–Yevick correlations, RSA packing, Metropolis Monte Carlo, and structure-aware scattering.

python cpp monte-carlo sphere scientific-computing packing structure-factor hard-spheres percus-yevick

Updated Oct 28, 2026
C++

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