TaoELi

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.

Guide users through setting up and running scientific simulations with FermiLink after `pip install fermilink` and `fermilink init`. Covers package installation, provider setup, execution modes, HPC configuration, and workflow selection.

Generate a Sphinx-ready report bundle (plots, RST, contract, per-accepted-commit pages) from a completed `fermilink optimize` workspace. Use when the user asks to visualize, export, or publish optimization results from a `.fermilink-optimize` directory, or wants to prepare material for the Project Optimization website.

Write, review, or strengthen `goal.md` files for `fermilink optimize` across Python, C/C++, and Fortran packages. Use when defining target scope, scientific correctness constraints, representative workloads, build commands, or staged workload-input files for goal 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 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 ask to bootstrap or regenerate a `skills/` folder for a scientific software package (for example LAMMPS, PSI4, GROMACS, Q-Chem docs-only, MEEP, or similar) from docs/source/tests/tutorial layouts, with documentation-first routing and an abstract skill count capped around 30.

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.

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.