maxwelllink.em_solvers.meep module¶

Meep-specific EM units and coupling utilities for MaxwellLink.

Provides conversions between Meep units and atomic units, plus helpers for source construction and field integrations.

class maxwelllink.em_solvers.meep.MeepSimulation[source]¶

Bases: Simulation

A wrapper of meep.Simulation with MaxwellLink features.

This extends Meep’s simulation to couple with quantum models via MaxwellLink.

hub¶

Manager for socket communication with external drivers.

Type:: SocketHub or None

molecules¶

Wrapped molecules coupled to the EM grid.

Type:: list of MoleculeMeepWrapper

time_units_fs¶

Time unit in femtoseconds for unit conversions.

Type:: float

__init__(hub=None, molecules=None, time_units_fs=0.1, **kwargs)[source]¶

Initialize the simulation and wrap molecules with Meep adapters.

Parameters:

hub (SocketHub or None, optional) – Socket hub for driver communication.
molecules (list or None, optional) – Molecules to couple; will be wrapped as MoleculeMeepWrapper.
time_units_fs (float, default: 0.1) – The Meep time unit expressed in femtoseconds.
**kwargs – Additional keyword arguments forwarded to meep.Simulation.

static __new__(cls, *args, **kwargs)¶

Parameters:

args (Any)
kwargs (Any)

Return type:

Any

run(*user_step_funcs, **kwargs)[source]¶

Run the simulation with optional user step functions and stopping conditions.

Notes

If molecules are present, a MaxwellLink coupling step is automatically inserted (socket or non-socket variant as appropriate) before user-provided step functions.

Parameters:

*user_step_funcs – One or more per-step callables.
**kwargs – Passed through to meep.Simulation.run (e.g., until=...).

class maxwelllink.em_solvers.meep.MeepUnits[source]¶

Bases: DummyEMUnits

__init__(time_units_fs=0.1)[source]¶

Meep unit system with conversions to/from atomic units.

Parameters:: time_units_fs (float, default: 0.1) – The Meep time unit expressed in femtoseconds.

efield_em_to_au(Emu_vec3)[source]¶

Convert the regularized electric-field integral from Meep units to atomic units.

Notes

This helper is used directly by the Meep backend.

Parameters:: Emu_vec3 (array-like of float, shape (3,)) – Regularized field integral in Meep units.
Returns:: Field integral in atomic units.
Return type:: numpy.ndarray of float, shape (3,)

source_amp_au_to_em(amp_au_vec3)[source]¶

Convert source amplitude (a.u.) to Meep units.

Parameters:: amp_au_vec3 (array-like of float, shape (3,)) – Source amplitude vector in atomic units.
Returns:: Source amplitude vector in Meep units.
Return type:: numpy.ndarray of float, shape (3,)

time_em_to_au(time_em)[source]¶

Convert Meep time to atomic units.

Parameters:: time_em (float) – Time in Meep units.
Returns:: Time in atomic units.
Return type:: float

units_helper(dx, dt)[source]¶

Explain the Meep unit system and its connection to atomic units.

This prints a summary of conversions based on the current resolution and Courant factor.

Parameters:

dx (float) – Spatial grid spacing in Meep units.
dt (float) – Time step size in Meep units.

Raises:

RuntimeError – If the Courant factor is not 0.5.

class maxwelllink.em_solvers.meep.MoleculeMeepWrapper[source]¶

Bases: MoleculeDummyWrapper

Wrapper that adapts a Molecule to Meep, handling units, sources, and IO.

__init__(time_units_fs=0.1, dt=None, molecule=None)[source]¶

Initialize the Meep molecule wrapper.

Parameters:

time_units_fs (float, default: 0.1) – The Meep time unit expressed in femtoseconds.
dt (float or None, optional) – Time step in Meep units; if provided, propagated to the molecule.
molecule (Molecule) – The molecule to wrap and couple to Meep.

calc_amp_vector()¶

Compute and return the current source amplitude vector from the molecule.

Returns:: Source amplitudes in atomic units.
Return type:: numpy.ndarray of float, shape (3,)

initialize_driver(assigned_id)¶

Initialize the wrapped molecule’s driver (non-socket mode).

Notes

Uses the molecule’s cached dt_au but changes its molecule_id from assigned_id.

Parameters:: assigned_id (int)

propagate(efield_vec3)¶

Propagate the wrapped molecule for one EM step.

Parameters:: efield_vec3 (array-like of float, shape (3,)) – Effective electric field vector in atomic units.

maxwelllink.em_solvers.meep.update_molecules(hub, molecules, sources_non_molecule=None)[source]¶

MPI-safe step function aligned with the no-MPI version and streaming sources.

Parameters:

hub (SocketHub) – Socket hub for driver communication.
molecules (list of MoleculeMeepWrapper) – Molecules to couple.
sources_non_molecule (list or None, optional) – Additional Meep sources unrelated to molecules.

Returns:

A step function compatible with meep.Simulation.run.

Return type:

callable

maxwelllink.em_solvers.meep.update_molecules_no_mpi(hub, molecules, sources_non_molecule=None)[source]¶

Create a Meep step function (sockets, no MPI) that couples molecules to the EM grid.

Parameters:

hub (SocketHub) – Socket hub for driver communication.
molecules (list of MoleculeMeepWrapper) – Molecules to couple.
sources_non_molecule (list or None, optional) – Additional Meep sources unrelated to molecules.

Returns:

A step function compatible with meep.Simulation.run.

Return type:

callable

maxwelllink.em_solvers.meep.update_molecules_no_socket(molecules, sources_non_molecule=None)[source]¶

Create a Meep step function (no sockets) that couples molecules to the EM grid.

Parameters:

molecules (list of MoleculeMeepWrapper) – Molecules to couple.
sources_non_molecule (list or None, optional) – Additional Meep sources unrelated to molecules.

Returns:

A step function compatible with meep.Simulation.run.

Return type:

callable