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
Apr 30, 2026 - C++