smithery/taoeli

mxl-driver-qutip

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.

Installation

$ npx skills add smithery/taoeli --skill mxl-driver-qutip

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More details

Agent compatibility

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Package contents

Files included with this skill beyond the listing page.

  • skill md SKILL.md 1,707 B
  • docs SUMMARY.md 214 B

History

  1. First recorded snapshot · 0 installs

SKILL.md

QuTiP driver (model Hamiltonians)

Confirm prerequisites

  • Ensure qutip is installed in the driver environment; import failures are expected otherwise.

Use preset TLS mode

  • Prefer passing TLS parameters as top-level tokens to avoid comma-parsing confusion:

- Socket: mxldriver --model qutip --port <port> --param "preset=tls, omega=0.242, mu12=187, orientation=2, peinitial=1e-4" - Embedded: Molecule(driver="qutip", driverkwargs={"preset": "tls", "omega": 0.242, "mu12": 187, "orientation": 2, "peinitial": 1e-4})

Use custom-module mode

  • Provide a Python file that defines buildmodel(**kwargs) and returns H0, muops, optional c_ops, and optional rho0.

- Socket (module next to the job): mxldriver --model qutip --port <port> --param "preset=custom, module=hcnqutip.py" - Socket (absolute path): mxldriver --model qutip --port <port> --param "preset=custom, module=/abs/path/spec.py" - Embedded: Molecule(driver="qutip", driverkwargs={"preset": "custom", "module": "hcn_qutip.py"}) - Ensure the driver process can import the module: - Launch the driver from the directory that contains the module, or - Add that directory to PYTHONPATH, or - Use an absolute module=... path on shared filesystem.

Notes

  • Use fd_dmudt=true only when an analytical dipole-current expression is unavailable or unstable.
  • For example setups, compare to tests/test_qutip/ and docs/source/drivers/qutip.rst.