Index

_

__init__() (maxwelllink.em_solvers.dummy_em.DummyEMSimulation method) (maxwelllink.em_solvers.dummy_em.DummyEMUnits method) (maxwelllink.em_solvers.dummy_em.MoleculeDummyWrapper method) (maxwelllink.em_solvers.laser_driven.LaserDrivenSimulation method) (maxwelllink.em_solvers.laser_driven.LaserDrivenUnits method) (maxwelllink.em_solvers.laser_driven.MoleculeLaserDrivenWrapper method) (maxwelllink.em_solvers.meep.MeepSimulation method) (maxwelllink.em_solvers.meep.MeepUnits method) (maxwelllink.em_solvers.meep.MoleculeMeepWrapper method) (maxwelllink.em_solvers.single_mode_cavity.MoleculeSingleModeWrapper method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeSimulation method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeUnits method) (maxwelllink.molecule.molecule.Molecule method) (maxwelllink.molecule.molecule.Vector3 method) (maxwelllink.molecule.molecule_legacy.DummyMolecule method) (maxwelllink.molecule.molecule_legacy.SocketMolecule method) (maxwelllink.molecule.molecule_legacy.TLSMolecule method) (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method) (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method)

__new__() (maxwelllink.em_solvers.meep.MeepSimulation static method) (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter static method)

A

all_bound() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method) am_master() (in module maxwelllink.sockets) (in module maxwelllink.sockets.sockets) append_additional_data() (maxwelllink.em_solvers.laser_driven.MoleculeLaserDrivenWrapper method) (maxwelllink.em_solvers.single_mode_cavity.MoleculeSingleModeWrapper method) (maxwelllink.molecule.molecule_legacy.TLSMolecule method) (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method)

ASEModel (class in maxwelllink.mxl_drivers.python.models.ase_model) atomic_to_meep_units_SourceAmp() (in module maxwelllink.molecule.molecule_legacy) auto_correlation_function() (in module maxwelllink.tools.ir)

C

calc_amp_vector() (maxwelllink.em_solvers.dummy_em.MoleculeDummyWrapper method) (maxwelllink.em_solvers.laser_driven.MoleculeLaserDrivenWrapper method) (maxwelllink.em_solvers.meep.MoleculeMeepWrapper method) (maxwelllink.em_solvers.single_mode_cavity.MoleculeSingleModeWrapper method) (maxwelllink.molecule.molecule.Molecule method) (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method)

calculate() (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter method) calculate_external_force() (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter method) calculation_required() (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter method) commit_step() (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method) cosine_drive() (in module maxwelllink.tools) (in module maxwelllink.tools.pulses)

D

DummyEMSimulation (class in maxwelllink.em_solvers.dummy_em) DummyEMUnits (class in maxwelllink.em_solvers.dummy_em)

DummyModel (class in maxwelllink.mxl_drivers.python.models.dummy_model) DummyMolecule (class in maxwelllink.molecule.molecule_legacy)

E

efield_em_to_au() (maxwelllink.em_solvers.dummy_em.DummyEMUnits method) (maxwelllink.em_solvers.laser_driven.LaserDrivenUnits method) (maxwelllink.em_solvers.meep.MeepUnits method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeUnits method)

F

fft() (in module maxwelllink.tools.ir)

ForceAugmenter (class in maxwelllink.mxl_drivers.python.models.ase_model)

G

gaussian_enveloped_cosine() (in module maxwelllink.tools) (in module maxwelllink.tools.pulses) gaussian_pulse() (in module maxwelllink.tools) (in module maxwelllink.tools.pulses)

get_available_host_port() (in module maxwelllink.sockets) (in module maxwelllink.sockets.sockets) graceful_shutdown() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method)

H

have_result() (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method)

hub (maxwelllink.em_solvers.meep.MeepSimulation attribute)

I

implemented_properties (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter attribute) initialize() (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method)

initialize_driver() (maxwelllink.em_solvers.dummy_em.MoleculeDummyWrapper method) (maxwelllink.em_solvers.laser_driven.MoleculeLaserDrivenWrapper method) (maxwelllink.em_solvers.meep.MoleculeMeepWrapper method) (maxwelllink.em_solvers.single_mode_cavity.MoleculeSingleModeWrapper method) (maxwelllink.molecule.molecule.Molecule method) ir_spectrum() (in module maxwelllink.tools) (in module maxwelllink.tools.ir)

L

LaserDrivenSimulation (class in maxwelllink.em_solvers.laser_driven) LaserDrivenUnits (class in maxwelllink.em_solvers.laser_driven)

launch_driver() (in module maxwelllink.mxl_drivers.python.mxl_driver) lr_tddft_spectrum() (in module maxwelllink.tools) (in module maxwelllink.tools.tddft_spectrum)

M

make_custom_time_src() (in module maxwelllink.molecule.molecule_legacy) maxwelllink module maxwelllink.em_solvers module maxwelllink.em_solvers.dummy_em module maxwelllink.em_solvers.laser_driven module maxwelllink.em_solvers.meep module maxwelllink.em_solvers.single_mode_cavity module maxwelllink.molecule module maxwelllink.molecule.molecule module maxwelllink.molecule.molecule_legacy module maxwelllink.mxl_drivers module maxwelllink.mxl_drivers.lammps module maxwelllink.mxl_drivers.lammps.install module maxwelllink.mxl_drivers.python module maxwelllink.mxl_drivers.python.models module maxwelllink.mxl_drivers.python.models.ase_model module maxwelllink.mxl_drivers.python.models.dummy_model module maxwelllink.mxl_drivers.python.models.qutip_model module maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model module maxwelllink.mxl_drivers.python.models.rttddft_model module maxwelllink.mxl_drivers.python.models.tls_model module maxwelllink.mxl_drivers.python.mxl_driver module maxwelllink.sockets module maxwelllink.sockets.sockets module maxwelllink.tools module

maxwelllink.tools.ir module maxwelllink.tools.pulses module maxwelllink.tools.tddft_spectrum module maxwelllink.units module meep_to_atomic_units_E() (in module maxwelllink.molecule.molecule_legacy) MeepSimulation (class in maxwelllink.em_solvers.meep) MeepUnits (class in maxwelllink.em_solvers.meep) module maxwelllink maxwelllink.em_solvers maxwelllink.em_solvers.dummy_em maxwelllink.em_solvers.laser_driven maxwelllink.em_solvers.meep maxwelllink.em_solvers.single_mode_cavity maxwelllink.molecule maxwelllink.molecule.molecule maxwelllink.molecule.molecule_legacy maxwelllink.mxl_drivers maxwelllink.mxl_drivers.lammps maxwelllink.mxl_drivers.lammps.install maxwelllink.mxl_drivers.python maxwelllink.mxl_drivers.python.models maxwelllink.mxl_drivers.python.models.ase_model maxwelllink.mxl_drivers.python.models.dummy_model maxwelllink.mxl_drivers.python.models.qutip_model maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model maxwelllink.mxl_drivers.python.models.rttddft_model maxwelllink.mxl_drivers.python.models.tls_model maxwelllink.mxl_drivers.python.mxl_driver maxwelllink.sockets maxwelllink.sockets.sockets maxwelllink.tools maxwelllink.tools.ir maxwelllink.tools.pulses maxwelllink.tools.tddft_spectrum maxwelllink.units Molecule (class in maxwelllink.molecule.molecule) MoleculeDummyWrapper (class in maxwelllink.em_solvers.dummy_em) MoleculeLaserDrivenWrapper (class in maxwelllink.em_solvers.laser_driven) MoleculeMeepWrapper (class in maxwelllink.em_solvers.meep) molecules (maxwelllink.em_solvers.meep.MeepSimulation attribute) MoleculeSingleModeWrapper (class in maxwelllink.em_solvers.single_mode_cavity) mpi_bcast_from_master() (in module maxwelllink.sockets) (in module maxwelllink.sockets.sockets) mxl_driver_main() (in module maxwelllink.mxl_drivers.python.mxl_driver) mxl_lammps_main() (in module maxwelllink.mxl_drivers.lammps.install)

P

print_dynamics() (maxwelllink.molecule.molecule_legacy.DummyMolecule method) (maxwelllink.molecule.molecule_legacy.SocketMolecule method) (maxwelllink.molecule.molecule_legacy.TLSMolecule method) propagate() (maxwelllink.em_solvers.dummy_em.MoleculeDummyWrapper method) (maxwelllink.em_solvers.laser_driven.MoleculeLaserDrivenWrapper method) (maxwelllink.em_solvers.meep.MoleculeMeepWrapper method) (maxwelllink.em_solvers.single_mode_cavity.MoleculeSingleModeWrapper method) (maxwelllink.molecule.molecule.Molecule method) (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method)

Q

QuTiPModel (class in maxwelllink.mxl_drivers.python.models.qutip_model)

R

register_molecule() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method) register_molecule_return_id() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method) reset_module_state() (in module maxwelllink.molecule.molecule_legacy) reset_tls_population() (maxwelllink.molecule.molecule_legacy.TLSMolecule method) rt_tddft_spectrum() (in module maxwelllink.tools) (in module maxwelllink.tools.tddft_spectrum)

RTEhrenfestModel (class in maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model) RTTDDFTModel (class in maxwelllink.mxl_drivers.python.models.rttddft_model) run() (maxwelllink.em_solvers.dummy_em.DummyEMSimulation method) (maxwelllink.em_solvers.laser_driven.LaserDrivenSimulation method) (maxwelllink.em_solvers.meep.MeepSimulation method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeSimulation method) run_driver() (in module maxwelllink.mxl_drivers.python.mxl_driver)

S

set_field_au() (maxwelllink.mxl_drivers.python.models.ase_model.ForceAugmenter method) SingleModeSimulation (class in maxwelllink.em_solvers.single_mode_cavity) SingleModeUnits (class in maxwelllink.em_solvers.single_mode_cavity) smooth() (in module maxwelllink.tools.ir) SocketHub (class in maxwelllink.sockets) (class in maxwelllink.sockets.sockets) SocketMolecule (class in maxwelllink.molecule.molecule_legacy) source_amp_au_to_em() (maxwelllink.em_solvers.dummy_em.DummyEMUnits method) (maxwelllink.em_solvers.laser_driven.LaserDrivenUnits method) (maxwelllink.em_solvers.meep.MeepUnits method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeUnits method)

stage_step() (maxwelllink.mxl_drivers.python.models.ase_model.ASEModel method) (maxwelllink.mxl_drivers.python.models.dummy_model.DummyModel method) (maxwelllink.mxl_drivers.python.models.qutip_model.QuTiPModel method) (maxwelllink.mxl_drivers.python.models.rt_ehrenfest_model.RTEhrenfestModel method) (maxwelllink.mxl_drivers.python.models.rttddft_model.RTTDDFTModel method) (maxwelllink.mxl_drivers.python.models.tls_model.TLSModel method) step() (maxwelllink.em_solvers.laser_driven.LaserDrivenSimulation method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeSimulation method) step_barrier() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method) stop() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method)

T

terminate_driver() (in module maxwelllink.mxl_drivers.python.mxl_driver) time_em_to_au() (maxwelllink.em_solvers.dummy_em.DummyEMUnits method) (maxwelllink.em_solvers.laser_driven.LaserDrivenUnits method) (maxwelllink.em_solvers.meep.MeepUnits method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeUnits method)

time_units_fs (maxwelllink.em_solvers.meep.MeepSimulation attribute) TLSModel (class in maxwelllink.mxl_drivers.python.models.tls_model) TLSMolecule (class in maxwelllink.molecule.molecule_legacy)

U

units_helper() (maxwelllink.em_solvers.dummy_em.DummyEMUnits method) (maxwelllink.em_solvers.laser_driven.LaserDrivenUnits method) (maxwelllink.em_solvers.meep.MeepUnits method) (maxwelllink.em_solvers.single_mode_cavity.SingleModeUnits method) (maxwelllink.molecule.molecule_legacy.DummyMolecule method) (maxwelllink.molecule.molecule_legacy.SocketMolecule method) (maxwelllink.molecule.molecule_legacy.TLSMolecule method) update_molecule() (maxwelllink.molecule.molecule_legacy.DummyMolecule method) (maxwelllink.molecule.molecule_legacy.SocketMolecule method) (maxwelllink.molecule.molecule_legacy.TLSMolecule method)

update_molecules() (in module maxwelllink.em_solvers.meep) (in module maxwelllink.molecule.molecule_legacy) update_molecules_no_mpi() (in module maxwelllink.em_solvers.meep) (in module maxwelllink.molecule.molecule_legacy) update_molecules_no_socket() (in module maxwelllink.em_solvers.meep) (in module maxwelllink.molecule.molecule_legacy)

V

Vector3 (class in maxwelllink.molecule.molecule)

W

wait_until_bound() (maxwelllink.sockets.SocketHub method) (maxwelllink.sockets.sockets.SocketHub method)

X

x (maxwelllink.molecule.molecule.Vector3 attribute)

Y

y (maxwelllink.molecule.molecule.Vector3 attribute)

Z

z (maxwelllink.molecule.molecule.Vector3 attribute)