Index

A

add_batch() (TraceManager method) add_point_charges() (TurboControl method) adg() (TurboControl method) advance_position() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

advance_velocity() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) as_dict() (InMemoryTrace method) (TraceManager method) (YAMLTrace method)

C

call_turbomole() (TMModel method) check_turbomole_is_installed() (TurboControl method) clone() (Ehrenfest method) (EvenSamplingTrajectory method) (TMModel method) (TrajectoryCum method) (TrajectorySH method) (YAMLTrace method) collect() (InMemoryTrace method) (YAMLTrace method) compute() (OpenMM method) (TMModel method)

continue_simulating() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) counts() (TraceManager method) cpc() (TurboControl method) currently_interacting() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

D

direction_of_rescale() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) draw_new_zeta() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) duration_initialize() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

dV() (ShinMetiu method) (Subotnik2D method) (SubotnikModelS method) (SubotnikModelX method) (SuperExchange method) (TullyDualAvoidedCrossing method) (TullyExtendedCouplingReflection method) (TullySimpleAvoidedCrossing method)

E

Ehrenfest (class in mudslide)

EvenSamplingTrajectory (class in mudslide) event_list() (TraceManager method)

F

files() (YAMLTrace method)

G

get_masses() (TurboControl method)

H

hamiltonian_propagator() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) hop() (InMemoryTrace method) (YAMLTrace method) hop_allowed() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) hop_to_it() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

hop_update() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) hopper() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

I

InMemoryTrace (class in mudslide)

K

kinetic_energy() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

L

LinearVibronic (class in mudslide.scattering_models)

M

merge_tracer() (TraceManager method) mode_kinetic_energy() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) module mudslide.openmm_model mudslide.scattering_models mudslide.turbomole_model

mudslide.openmm_model module mudslide.scattering_models module mudslide.turbomole_model module

N

NAC_matrix() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

O

OpenMM (class in mudslide.openmm_model)

openmm_is_installed() (in module mudslide.openmm_model) outcome() (TraceManager method)

P

potential_energy() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

propagate_electronics() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

R

random() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) read_coords() (TurboControl method) read_hessian() (TurboControl method) read_point_charge_gradients() (TurboControl method)

record_event() (InMemoryTrace method) (YAMLTrace method) rescale_component() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) run_single() (TurboControl method)

S

sdg() (TurboControl method) setup_coords() (TMModel method) ShinMetiu (class in mudslide.scattering_models) simulate() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) snapshot() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

spawn_tracer() (TraceManager method) Subotnik2D (class in mudslide.scattering_models) SubotnikModelS (class in mudslide.scattering_models) SubotnikModelX (class in mudslide.scattering_models) summarize() (TraceManager method) SuperExchange (class in mudslide.scattering_models) surface_hopping() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

T

TMModel (class in mudslide.turbomole_model) total_energy() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method) trace() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

TraceManager (class in mudslide) TrajectoryCum (class in mudslide) TrajectorySH (class in mudslide) TullyDualAvoidedCrossing (class in mudslide.scattering_models) TullyExtendedCouplingReflection (class in mudslide.scattering_models) TullySimpleAvoidedCrossing (class in mudslide.scattering_models) TurboControl (class in mudslide.turbomole_model)

U

update_weight() (Ehrenfest method) (EvenSamplingTrajectory method) (TrajectoryCum method) (TrajectorySH method)

use_weight_derivatives() (TurboControl method)

V

V() (ShinMetiu method) (Subotnik2D method) (SubotnikModelS method) (SubotnikModelX method) (SuperExchange method) (TullyDualAvoidedCrossing method) (TullyExtendedCouplingReflection method) (TullySimpleAvoidedCrossing method)

W

where_is_dg() (TurboControl method)

write_main_log() (YAMLTrace method)

Y

YAMLTrace (class in mudslide)