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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.
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Baseado na classificação ocupacional SOC
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.
| name | mxl-troubleshoot |
| description | 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. |
--unix/--address/--port and the same UNIX socket name or TCP port.timeout for HPC and slow drivers; reduce latency only after basic correctness is verified.time_units_fs is set and consistent; time is reported in atomic units in driver histories.orientation (TLS/QuTiP preset) and coupling_axis (SingleMode/LaserDriven) are consistent with simulation dimensionality.pymeep, qutip, psi4, ase).charges=[...] or recompute_charges=true).get_available_host_port(localhost=False) fails on a locked-down cluster, avoid outbound probes: bind the hub to host="" and write a reachable hostname via MXL_HOST or hostname -f.checkpoint=true/restart=true when drivers may be pre-empted.tests/.skills/mxl-postprocess/SKILL.md to export and inspect diagnostics.