Index

A

add_groundstate() (in module qDNA.hamiltonian)

add_interaction() (in module qDNA.hamiltonian)

B

basis_change() (in module qDNA.model)

bose_einstein_distrib() (in module qDNA.environment)

C

c_ops (LindDiss property) calc_amplitudes() (in module qDNA.hamiltonian) calc_average_pop() (in module qDNA.hamiltonian) calc_backbone_transfer() (Evaluation method) calc_charge_separation() (Evaluation method) calc_coherence() (in module qDNA.dynamics) calc_dipole_moment() (Evaluation method) calc_exciton_transfer() (Evaluation method) calc_frequencies() (in module qDNA.hamiltonian) calc_H() (Monomer method) calc_H_inter() (in module qDNA.lcao) calc_H_intra() (in module qDNA.lcao) calc_ipr_dm() (in module qDNA.dynamics)

calc_ipr_hamiltonian() (in module qDNA.hamiltonian) calc_lifetime() (Evaluation method) calc_orbital_energy() (in module qDNA.lcao) calc_orbital_interaction() (in module qDNA.lcao) calc_purity() (in module qDNA.dynamics) calc_results() (EvaluationParallel method) calc_tb_couplings() (Oligomer method) calc_tb_energies() (Oligomer method) calc_tb_params() (Oligomer method) calc_trace_distance() (in module qDNA.dynamics) clean() (Oligomer method) Component (class in qDNA.lcao) coulomb_param (TBHam property)

D

debye_spectral_density() (in module qDNA.environment) delete_groundstate() (in module qDNA.hamiltonian)

delete_tb_params() (in module qDNA.io) dephasing_rate() (in module qDNA.environment)

E

evaluate_pdb() (in module qDNA.evaluation) Evaluation (class in qDNA.evaluation)

EvaluationParallel (class in qDNA.evaluation) exchange_param (TBHam property)

G

get_amplitudes() (TBHam method) get_average_pop() (TBHam method) get_backbone_average_pop() (TBHam method) get_coh() (MeSolver method) get_coh_observable() (in module qDNA.environment) get_conversion() (in module qDNA.utils) get_conversion_dict() (in module qDNA.utils) get_deph_eq_state() (in module qDNA.evaluation) get_eh_basis() (in module qDNA.model) get_eh_distance() (in module qDNA.model) get_eh_observable() (in module qDNA.environment) get_eigensystem() (TBHam method) get_fourier() (TBHam method) get_frequencies() (TBHam method) get_glob_deph_ops() (in module qDNA.environment) get_glob_therm_op() (in module qDNA.environment) get_glob_therm_ops() (in module qDNA.environment) get_groundstate_pop() (MeSolver method) get_loc_deph_ops() (in module qDNA.environment) get_loc_therm_op() (in module qDNA.environment) get_loc_therm_ops() (in module qDNA.environment)

get_matrix() (TBHam method) get_MO_type() (Monomer method) get_orbital_bond_matrix() (Component method) get_orbital_distance_matrix() (Component method) get_particle_eh_states() (in module qDNA.model) get_pop() (MeSolver method) get_pop_fourier() (in module qDNA.hamiltonian) get_pop_observable() (in module qDNA.environment) get_reduced_dm() (in module qDNA.dynamics) get_reduced_dm_eigs() (in module qDNA.dynamics) get_relax_op() (in module qDNA.environment) get_result() (MeSolver method) get_result_particle() (MeSolver method) get_tb_basis() (in module qDNA.model) get_tb_config() (in module qDNA.model) get_tb_couplings() (in module qDNA.model) get_tb_energies() (in module qDNA.model) get_tb_observable() (in module qDNA.environment) get_tb_params() (TBHam method) get_therm_eq_state() (in module qDNA.evaluation) global_to_local() (in module qDNA.model)

L

LindDiss (class in qDNA.environment) load_defaults() (in module qDNA.io) load_lcao_param() (in module qDNA.io) load_options() (in module qDNA.io)

load_pdb() (in module qDNA.io) load_tb_model_props() (in module qDNA.io) load_tb_params() (in module qDNA.io) load_xyz() (in module qDNA.io) local_to_global() (in module qDNA.model)

M

MeSolver (class in qDNA.dynamics)

Monomer (class in qDNA.lcao)

N

nn_cutoff (TBHam property)

O

ohmic_spectral_density() (in module qDNA.environment)

Oligomer (class in qDNA.lcao)

P

particles (TBHam property) pdb_to_xyz() (in module qDNA.io) plot_average_pop() (Visualization method) plot_coh() (Visualization method) plot_couplings() (Oligomer method) plot_eigs() (Visualization method) plot_eigv() (Visualization method)

plot_fourier() (Visualization method) plot_heatmap() (Visualization method) plot_heatmap2() (Visualization method) plot_pop() (Visualization method) plot_pop_fourier() (Visualization method) plot_pops() (Visualization method) plot_test_fourier() (Visualization method)

R

relax_rates (LindDiss property)

relaxation (TBHam property) reset() (MeSolver method)

S

save_tb_params() (in module qDNA.io) (Oligomer method)

set_matrix_element() (in module qDNA.hamiltonian) source (TBHam property)

T

t_end (MeSolver property) t_steps (MeSolver property) tb_ham_1P() (in module qDNA.hamiltonian)

tb_ham_2P() (in module qDNA.hamiltonian) TBHam (class in qDNA.hamiltonian) TBModel (class in qDNA.model)

U

unit (TBHam property)

V

Visualization (class in qDNA.visualization)

W

write_xyz() (in module qDNA.io)