LAMMPS MD Simulator Purpose Provides expert guidance on LAMMPS molecular dynamics simulations, including input script generation, force field selection, and parallel execution optimization. Capabilities - Input script generation and validation - Force field selection (EAM, Tersoff, ReaxFF) - Boundary condition and ensemble configuration - Thermodynamic property extraction - Trajectory file analysis - Parallel run optimization (MPI/GPU) Usage Guidelines 1. Input Script Generation : Create LAMMPS input files with proper syntax and structure 2. Force Field Selection : Choose appropriate interato…