cai-aa/text-to-cae/lammps-evidence-md

LAMMPS Evidence MD

Keep the input deck, potential provenance, random seeds, executable build, log, trajectory, and postprocessing chain traceable.

Start

ai-cae-toolbox context-scope --solver lammps
ai-cae-toolbox bridge-plan --solver lammps --objective "<objective>"
ai-cae-toolbox create-run --solver lammps --case <case-name> --objective "<objective>"
ai-cae-toolbox write-smoke-template --solver lammps --run-dir <run-dir>

Use lammps_check_installation and lammps_run_input_file when MCP is available.

Build and Run

• Declare units, boundary conditions, atom style, dimensions, masses, and atom types.
• Record potential filename, source, license, supported species, and parameterization scope.
• Separate minimization, equilibration, loading, and production phases.
• Record timestep, thermostat/barostat damping, deformation rate, dump interval,

thermo fields, random seeds, and restart strategy.

• Run a tiny parser/smoke case before a long trajectory.

Read references/validation.md before interpreting stress, fracture, diffusion, or phase behavior.

Finish

Require a normal LAMMPS termination signal, complete log, expected step count, thermo data, and trajectory or final data output. Export derived curves through a versioned script. Hand trajectories to the OVITO skill for visualization, but keep LAMMPS solve evidence and OVITO render evidence separate.