narupatools.lammps.dynamics

Molecular dynamics run directly in LAMMPS.

Classes

LAMMPSDynamics(simulation, *, playback_interval)

Molecular dynamics implementation using LAMMPS directly.

LAMMPSIMDFeature(dynamics)

Interactive molecular dynamics for use with LAMMPS.

LAMMPSInteraction(*, dynamics, key, …)

IMD Interaction applied to a LAMMPS simulation.