Data for: Fast Semi-Grand-Canonical Type-Swap Monte Carlo in LAMMPS via Localized Energy-Difference Evaluation for Pairwise-Additive Interaction Models

This record contains the validation data, benchmark workflow, raw LAMMPS outputs, plotting scripts, publication figures, and source-code snapshot supporting the CPC manuscript entitled "Fast Semi-Grand-Canonical Type-Swap Monte Carlo in LAMMPS via Localized Energy-Difference Evaluation for Pairwise-Additive Interaction Models". The data package supports the validation and performance analysis of fix fast/swap, a LAMMPS Monte Carlo fix for localized semi-grand-canonical type-swap sampling in pairwise-additive interaction models. The archive includes representative input files, benchmark workflows, raw output data, generated publication figures and tables, supplementary validation materials, checksums, and a source-code snapshot corresponding to the CPC submission version. The maintained source-code repository is available at:https://github.com/cqx333/fix-fast-swap