Data for: Efficient Localized Monte Carlo Sampling in LAMMPS

This repository contains representative data supporting the results presented in themanuscript “Efficient Localized Monte Carlo Sampling in LAMMPS”. Contents:- inputs/: LAMMPS input scripts used for reference and optimized SGC-MC simulations.- scaling_data/: Performance and scaling benchmark data comparing the original and localized Monte Carlo implementations.- validation_data/: Energy-difference validation data and related outputs used to verify the numerical correctness of the localized energy evaluation scheme. Notes:Only representative datasets are provided to facilitate reproducibility and methodvalidation. Full production trajectories and additional intermediate data are notincluded due to their large size, but are available from the corresponding author uponreasonable request.