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.

Python-based Drivers for Testing and Debugging¶

The light-weight two-level system (TLS) driver and the simple harmonic oscillator (SHO) driver are designed for testing and debugging the simulation of electronic or nuclear dynamics, respectively.

TLS driver
SHO driver

Python-based Drivers for Productive Runs¶

QuTiP driver
RT-TDDFT driver
RT-TDDFT-Ehrenfest driver
ASE driver
Lorentz-Bath driver

Socket Connection to Third-Party Drivers¶

Additionally, MaxwellLink provides direct connections to third-party C++ or Fortran molecular packages, such as LAMMPS, DFTB+, and CP2K.

LAMMPS driver
DFTB+ driver
CP2K driver