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This skill should be used when users need the MaxwellLink single-mode cavity solver for fast prototyping and regression, in either socket or embedded mode.
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Based on SOC occupation classification
This skill should be used when users need the MaxwellLink multimode Fabry-Pérot cavity solver to study a spatial grid of molecules coupled to many photonic modes (mesoscale VSC), in either socket or embedded mode.
This skill should be used when users need the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants.
This skill should be used when users ask how to set up, choose, or run a MaxwellLink simulation and the correct solver/driver/HPC/post-processing workflow must be selected.
This skill should be used when users want to couple MaxwellLink to the MaxwellLink-aware DFTB+ fork via the `MaxwellLinkSocket` block, including real-time Ehrenfest dynamics, VelocityVerlet Born-Oppenheimer MD, dipole-derivative choices, build/install, and TCP/UNIX socket connection patterns.
This skill should be used when users need to initialize, clean, or configure MaxwellLink workspaces using the mxl command family.
This skill should be used when users need to run MaxwellLink in SLURM/HPC environments, including dependent job patterns and robust socket host/port handoff.
| name | mxl-singlemode |
| description | This skill should be used when users need the MaxwellLink single-mode cavity solver for fast prototyping and regression, in either socket or embedded mode. |
mxl.SingleModeSimulation when a 1-mode cavity surrogate is sufficient and Meep is too heavy.dt_au, frequency_au, damping_au, coupling_strength, and coupling_axis.include_dse.excite_ph (default True) sends the drive term to the cavity EOM; excite_mol (default False) adds the drive term to the effective electric field acting on the molecules along coupling_axis. Enabling both at once is allowed but emits a warning.temperature_au (a.u., default 0.0) sets the thermal scale. Add initializer="maxwell_boltzmann" to seed initial qc/pc from a Maxwell-Boltzmann distribution, overriding any user-provided qc_initial/pc_initial. Add langevin_tau_au (Langevin relaxation time, a.u.) to thermostat the cavity momentum every step; leave langevin_tau_au=None for NVE dynamics. Use random_seed for reproducible sampling/kicks.Molecule interface as elsewhere).skills/mxl-project-scaffold/assets/templates/singlemode-tls-socket-tcpskills/mxl-singlemode/references/singlemode_run_recipes.mddocs/source/em_solvers/single_mode_cavity.rst