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This skill should be used when users need the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants.
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Basierend auf der SOC-Berufsklassifikation
| name | mxl-core |
| description | This skill should be used when users need the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants. |
projects/YYYY-MM-DD-NAME/.config.json (or similar) and avoiding hard-coded absolute paths.hub=... and driver=... to maxwelllink.Molecule; provide exactly one.Molecule(driver="<id>", driver_kwargs={...}).SocketHub(...), pass hub=hub into each Molecule(...), and launch one mxl_driver --model <id> ... per molecule.Molecule(driver="...", ...)) on local machines and reserve socket mode for SLURM/HPC.MPI4PY_RC_INITIALIZE=0 and ensure loopback NIC usage (use 127.0.0.1; set site-specific NIC selection env vars if MPI/OFI tries a non-loopback interface).time_units_fs on MeepSimulation(...) and keep it consistent when interpreting driver times.dt_au explicitly.timeout for HPC and tune latency to match driver cost.store_additional_data=False for most molecules to limit memory usage; keep it True only for the molecules you intend to export/plot.skills/mxl-project-scaffold/scripts/mxl_validate_project.py to sanity-check config.json and required files.tests/ and docs/source/usage.rst.skills/mxl-core/references/solver_quickref.mdskills/mxl-core/references/driver_quickref.mdThis 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 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.