MaxwellLink

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 need the MaxwellLink single-mode cavity solver for fast prototyping and regression, in either socket or embedded mode.

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.

Dual-purpose tutorial to reproduce manuscript Figure 5b, 5d, and 5e plasmonic flux and HCN heating maps (EM-only, TLS, and ASE/BOMD), and to transfer the workflow to related plasmon-molecule systems by adjusting geometry, molecular model, and run procedures.

Dual-purpose tutorial to reproduce manuscript liquid-water vibrational strong-coupling spectra and CPU scaling (single-mode cavity plus Meep Bragg resonator), and to adapt the same procedure to related VSC systems by retuning cavity/resonator parameters, size ladders, and execution settings.

This skill should be used when users need to extract, export, and plot MaxwellLink outputs from molecules and EM solvers (e.g., `additional_data_history`, cavity histories, spectra helpers).

This skill should be used when users want to run the Psi4 RT-Ehrenfest driver (rtehrenfest) with MaxwellLink and need parameters, charge conventions, and socket/embedded invocation patterns.

This skill should be used when users need MaxwellLink + Meep FDTD workflows, including embedded vs socket coupling, MPI considerations, and recommended templates.

This skill should be used when users ask to prepare MaxwellLink input files; it scaffolds a new `projects/YYYY-MM-DD-NAME/` folder from copy-ready templates and provides basic validation.

This skill should be used when users want to couple MaxwellLink to LAMMPS via the bundled `fix mxl`, including build/install and socket connection patterns.

This skill should be used when users want to run the ASE driver for classical/BOMD dynamics in MaxwellLink and need charge conventions and socket/embedded invocation patterns.

This skill should be used when users want to run the Psi4 RT-TDDFT driver (rttddft) with MaxwellLink and need required inputs, parameters, and socket/embedded invocation patterns.

This skill should be used when users want to run the QuTiP molecular driver (preset TLS or custom Hamiltonians) in MaxwellLink and need correct parameter passing for socket or embedded mode.

This skill should be used when users want to run the built-in TLS (two-level system) driver in socket or embedded mode and need parameter conventions and example commands.

This skill should be used when users need MaxwellLink laser-driven (prescribed-field) simulations, including pulse setup and coupling-axis conventions.

This skill should be used when MaxwellLink simulations stall, diverge, or produce missing/incorrect observables; it provides a first-aid checklist for sockets, units, and driver configuration.