TaoELi/MaxwellLink

A flexible framework for self-consistent EM-molecular simulations, powered by AI agent skills

This repository also configures its own agents. See what MaxwellLink tells them →

9Stars on the repository
23Mods indexed here, across every type
15d agoLast push, which is what freshness is scored on
GPL-2.0Licence, which decides whether bodies are shown

mxl-cli

01

TaoELi/MaxwellLink

Skill Claude CodeCodex

This skill should be used when users need to initialize, clean, or configure MaxwellLink workspaces using the mxl command family.

not rated 9 15d ago A 30 tokens GPL-2.0

mxl-core

02

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 35 tokens GPL-2.0

mxl-driver-ase

03

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 39 tokens GPL-2.0

mxl-driver-dftbplus

04

TaoELi/MaxwellLink

Skill Claude CodeCodex

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.

not rated 9 15d ago A 75 tokens GPL-2.0

mxl-driver-lammps

05

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 40 tokens GPL-2.0

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 52 tokens GPL-2.0

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 53 tokens GPL-2.0

mxl-driver-qutip

08

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 44 tokens GPL-2.0

mxl-driver-tls

09

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 39 tokens GPL-2.0

mxl-hpc-slurm

10

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 40 tokens GPL-2.0

mxl-index

11

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 40 tokens GPL-2.0

mxl-laser-driven

12

TaoELi/MaxwellLink

Skill Claude CodeCodex

This skill should be used when users need MaxwellLink laser-driven (prescribed-field) simulations, including pulse setup and coupling-axis conventions.

not rated 9 15d ago A 33 tokens GPL-2.0

mxl-meep

13

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 35 tokens GPL-2.0

mxl-multimode

14

TaoELi/MaxwellLink

Skill Claude CodeCodex

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.

not rated 9 15d ago A 54 tokens GPL-2.0

mxl-postprocess

15

TaoELi/MaxwellLink

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).

not rated 9 15d ago A 44 tokens GPL-2.0

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 45 tokens GPL-2.0

mxl-singlemode

17

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 34 tokens GPL-2.0

mxl-troubleshoot

18

TaoELi/MaxwellLink

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.

not rated 9 15d ago A 44 tokens GPL-2.0

TaoELi/MaxwellLink

Skill Claude CodeCodex

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.

not rated 9 15d ago A 72 tokens GPL-2.0

TaoELi/MaxwellLink

Skill Claude CodeCodex

Dual-purpose tutorial to reproduce manuscript liquid-water vibrational strong-coupling spectra and CPU scaling (single-mode cavity plus Meep Bragg resonator), and to adapt the same procedure to related VSC systems by retuning cavity/resonator parameters, size ladders, and execution settings.

not rated 9 15d ago A 65 tokens GPL-2.0

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