mxl-project-scaffold

name: mxl-project-scaffold description: 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.

MaxwellLink project scaffolding (inputs under projects/)

Create a new project folder

• Name the project using the convention YYYY-MM-DD-NAME under projects/.
• Copy a ready-to-run template from skills/mxl-project-scaffold/assets/templates/ into the new project directory.

Use the scaffolding script

• List available templates:
  • python skills/mxl-project-scaffold/scripts/mxl_scaffold_project.py --list
• Create a project:
  • python skills/mxl-project-scaffold/scripts/mxl_scaffold_project.py --template meep-tls-embedded --name tls-coherent-meep-2d-vacuum
• Edit the generated config.json and README.md before running.

Validate a project

• Run:
  • python skills/mxl-project-scaffold/scripts/mxl_validate_project.py projects/YYYY-MM-DD-NAME
• Fix any reported schema/type issues before launching long jobs.

Template catalog

• meep-tls-embedded: Meep FDTD + embedded TLS, writes tls_history.csv
• meep-tls-socket-unix: Meep FDTD + TLS driver over UNIX socket (local multi-process)
• singlemode-tls-socket-tcp: SingleModeSimulation + TLS over TCP (fast socket workflow)
• laser-tls-embedded: LaserDrivenSimulation + embedded TLS (prescribed field)
• slurm-meep-tls-tcp: SLURM two-step main+driver jobs over TCP (multi-node pattern), writes tcp_host_port_info.txt
• slurm-meep-lammps-tcp: SLURM two-step Meep+LAMMPS (fix mxl) jobs over TCP, patches in_mxl.lmp and runs lmp_mxl
• slurm-meep-plasmon-rteh-tcp: SLURM two-step 3D plasmonic Meep + multi-molecule Psi4 RT-Ehrenfest drivers over TCP (adapted from meep_plasmon_HCN_excitation_rteh_strong)