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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.
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Basierend auf der SOC-Berufsklassifikation
| name | mxl-driver-lammps |
| description | 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. |
fix mxl)mxl_install_lammps to build an lmp_mxl binary.hub = mxl.SocketHub(host="0.0.0.0", port=31415, timeout=60.0)fix 1 all mxl <host> <port> [unix] [reset_dipole]skills/mxl-hpc-slurm/SKILL.md when the hub and LAMMPS run on different nodes.skills/mxl-project-scaffold/assets/templates/slurm-meep-lammps-tcptcp_host_port_info.txt (host on line 1, port on line 2).cp in_mxl.lmp in.lmpsed -i -e "s/HOST/$HOST/g" in.lmp && sed -i -e "s/PORT/$PORT/g" in.lmpsrun -n $SLURM_NTASKS lmp_mxl -in in.lmpdocs/source/drivers/lammps.rst.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.