Drivers

MaxwellLink ships with several Python molecular drivers that can be accessed either through the mxl_driver console script (socket mode) or directly via Molecule in non-socket mode. These Python drivers inherit from DummyModel and provide the unified driver API. Each driver page documents its parameters, expected outputs, and any runtime prerequisites.

• TLS driver
• QuTiP driver
• RT-TDDFT driver
• RT-TDDFT-Ehrenfest driver
• ASE driver

Additionally, MaxwellLink provides a direct connection to LAMMPS via the custom fix mxl. This C++ driver only supports socket mode.

• LAMMPS driver