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.
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.
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.
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 the canonical MaxwellLink workflow, including socket vs embedded coupling, units/time handling, and MPI/HPC invariants.
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.
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.
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.
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.
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.
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.
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.
This skill should be used when users need MaxwellLink laser-driven (prescribed-field) simulations, including pulse setup and coupling-axis conventions.
This skill should be used when users need MaxwellLink + Meep FDTD workflows, including embedded vs socket coupling, MPI considerations, and recommended templates.
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).
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 need the MaxwellLink single-mode cavity solver for fast prototyping and regression, in either socket or embedded mode.
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.
★not rated 10 yesterdayA44 tokens
AGPL-3.0
At most 3 mods per repository are shown here, and a mod shipped inside a plugin is left to that plugin's page — the rest are on their repository pages: