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TaoELi / maxwelllink-mxl-troubleshoot exact

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.

TaoELi / maxwelllink-mxl-driver-tls exact

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.

TaoELi / maxwelllink-mxl-laser-driven exact

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

TaoELi / maxwelllink-mxl-driver-qutip exact

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.

TaoELi / maxwelllink-mxl-driver-psi4-rttddft exact

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.

TaoELi / maxwelllink-mxl-index exact

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.

TaoELi / maxwelllink-mxl-core exact

This skill should be used when users need the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants.

TaoELi / maxwelllink-mxl-project-scaffold exact

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.

TaoELi / maxwelllink-mxl-hpc-slurm exact

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.

TaoELi / maxwelllink-mxl-driver-lammps exact

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.

TaoELi / maxwelllink-mxl-meep exact

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

TaoELi / maxwelllink-mxl-singlemode exact

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.

TaoELi / maxwelllink-mxl-driver-ase exact

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.

TaoELi / maxwelllink-mxl-postprocess exact

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).

TaoELi / maxwelllink-mxl-driver-psi4-rtehrenfest exact

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.