Instructions file CodexOpenCode
AGENTS.md instructions for TaoELi/FermiLink, covering fermilink development guide, core principles, development workflow, projecthistory.md maintenance (required) and boundaries and safety.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
This skill should be used when users need the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
This skill should be used when users need MaxwellLink laser-driven (prescribed-field) simulations, including pulse setup and coupling-axis conventions.
Skill Claude CodeCodex
This skill should be used when users need MaxwellLink + Meep FDTD workflows, including embedded vs socket coupling, MPI considerations, and recommended templates.
Skill Claude CodeCodex
This skill should be used when users need to extract, export, and plot MaxwellLink outputs from molecules and EM solvers (e.g., additionaldatahistory, cavity histories, spectra helpers).
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Skill Claude CodeCodex
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.
Instructions file CodexOpenCode
AGENTS.md instructions for TaoELi/MaxwellLink, covering guidelines for using maxwelllink, preparing input files, performing simulations: general guidelines, performing simulations: hpc systems and postprocessing.
Instructions file
Claude Code instructions for TaoELi/MaxwellLink, a project described as: A flexible framework for self-consistent EM-molecular simulations, powered by AI agent skills.
Instructions file Gemini CLI
Gemini CLI instructions for TaoELi/MaxwellLink, a project described as: A flexible framework for self-consistent EM-molecular simulations, powered by AI agent skills.
Skill Claude CodeCodex
This skill should be used when users need to initialize, clean, or configure MaxwellLink workspaces using the mxl command family.