Index

A

add_dammy_legs() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) apply_dipole() (pytdscf.wavefunction.WFunc method) au_in_angstrom (in module pytdscf.units) au_in_cm1 (in module pytdscf.units) au_in_dalton (in module pytdscf.units)

au_in_debye (in module pytdscf.units) au_in_eV (in module pytdscf.units) au_in_fs (in module pytdscf.units) autocorr (pytdscf.properties.Properties attribute) autocorr() (pytdscf.wavefunction.WFunc method) ax (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation attribute)

B

backup_interval (pytdscf.Simulator attribute) (pytdscf.simulator_cls.Simulator attribute) BasInfo (class in pytdscf) (class in pytdscf.model_cls) basinfo (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute) basis_func() (in module pytdscf.util.grid2qff) blockop_key_sites (pytdscf.hamiltonian_cls.TermProductForm attribute)

bond_dimension (pytdscf.dvr_operator_cls.TensorOperator attribute) (pytdscf.TensorOperator attribute) bonddim() (pytdscf.wavefunction.WFunc method) Boson (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.boson) build_td_hamiltonian (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute)

C

cax (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation attribute) ci_coef (pytdscf.wavefunction.WFunc attribute) coef (pytdscf.hamiltonian_cls.TermOneSiteForm attribute) (pytdscf.hamiltonian_cls.TermProductForm attribute) cols (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation property) ComplexMatrixAnimation (class in pytdscf.util.anim_density_matrix) construct_fulldimensional() (in module pytdscf) (in module pytdscf.dvr_operator_cls)

construct_kinetic_operator() (in module pytdscf) (in module pytdscf.dvr_operator_cls) construct_nMR_recursive() (in module pytdscf) (in module pytdscf.dvr_operator_cls) convert_key() (pytdscf.hamiltonian_cls.TermProductForm static method) coupleJ (pytdscf.hamiltonian_cls.HamiltonianMixin attribute) (pytdscf.hamiltonian_cls.PolynomialHamiltonian attribute) create_animation() (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method)

D

database_to_dataframe() (in module pytdscf.dvr_operator_cls) debug_plot() (in module pytdscf.util.grid2qff) decompose() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) deepcopy() (in module pytdscf.dvr_operator_cls) diagnalize_pos_rep_matrix() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) dimensionless (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.HarmonicOscillator attribute)

displace (pytdscf.ase_handler.DVR_Mesh attribute) distribute_mpo_cores() (pytdscf.hamiltonian_cls.TensorHamiltonian method) (pytdscf.TensorHamiltonian method) doAnalytical (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.HarmonicOscillator attribute) (pytdscf.Sine attribute) done_jobs (pytdscf.ase_handler.DVR_Mesh attribute) dtype (pytdscf.dvr_operator_cls.TensorOperator property) (pytdscf.TensorOperator property) dvr_func() (pytdscf.basis.abc.DVRPrimitivesMixin method) DVR_Mesh (class in pytdscf.ase_handler) DVRPrimitivesMixin (class in pytdscf.basis.abc)

E

energy (pytdscf.properties.Properties attribute) estimate_error() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) Exciton (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.exciton) execute_multiproc() (pytdscf.ase_handler.DVR_Mesh method)

expectation() (pytdscf.wavefunction.WFunc method) expectations (pytdscf.properties.Properties attribute) Exponential (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.exponential) export_properties() (pytdscf.properties.Properties method) export_spectrum() (in module pytdscf.spectra)

F

fbr_func() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) fig (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation attribute) file_write() (in module pytdscf.util.grid2qff)

fiting_func1MR() (in module pytdscf.util.grid2qff) fiting_func2MR() (in module pytdscf.util.grid2qff) fiting_func3MR() (in module pytdscf.util.grid2qff) fiting_func4MR() (in module pytdscf.util.grid2qff) freq_au (pytdscf.basis.ho.PrimBas_HO attribute) (pytdscf.basis.PrimBas_HO attribute) (pytdscf.PrimBas_HO attribute) freq_cm1 (pytdscf.basis.ho.PrimBas_HO attribute) (pytdscf.basis.PrimBas_HO attribute) (pytdscf.PrimBas_HO attribute) full_bond_dimension (pytdscf.dvr_operator_cls.TensorOperator attribute) (pytdscf.TensorOperator attribute)

G

general (pytdscf.hamiltonian_cls.PolynomialHamiltonian attribute) geometry (pytdscf.ase_handler.DVR_Mesh attribute) get_1st_derivative_matrix_dvr() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) get_1st_derivative_matrix_fbr() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) get_2nd_derivative_matrix_dvr() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) get_2nd_derivative_matrix_fbr() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) get_anim() (in module pytdscf.util) (in module pytdscf.util.anim_density_matrix) get_annihilation_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.basis.Exciton method) (pytdscf.basis.exciton.Exciton method) (pytdscf.Boson method) (pytdscf.Exciton method) get_bond_dimension() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) get_creation_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.basis.Exciton method) (pytdscf.basis.exciton.Exciton method) (pytdscf.Boson method) (pytdscf.Exciton method) get_displce_from_hess() (in module pytdscf.util.hess_util) get_frobeinus_norm() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) get_grids() (pytdscf.basis.abc.DVRPrimitivesMixin method) get_initial_wavefunction() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) get_ndof() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method)

get_ndof_per_sites() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_ngrid() (pytdscf.BasInfo method) (pytdscf.model_cls.BasInfo method) get_nprim() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_nspf() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_nspf_list() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_nspf_rangelist() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_nstate() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_num_of_elements() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) get_number_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.Boson method) get_ovi_CS_HO() (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.HarmonicOscillator method) get_p2_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.Boson method) get_p_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.Boson method) get_pos_rep_matrix() (pytdscf.basis.abc.DVRPrimitivesMixin method) (pytdscf.basis.Exponential method) (pytdscf.basis.exponential.Exponential method) (pytdscf.basis.HarmonicOscillator method) (pytdscf.basis.ho.HarmonicOscillator method) (pytdscf.basis.sin.Sine method) (pytdscf.basis.Sine method) (pytdscf.Exponential method) (pytdscf.HarmonicOscillator method) (pytdscf.Sine method) get_primbas() (pytdscf.BasInfo method) (pytdscf.Model method) (pytdscf.model_cls.BasInfo method) (pytdscf.model_cls.Model method) get_primitive_integrals() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) get_properties() (pytdscf.properties.Properties method) get_q2_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.Boson method) get_q_matrix() (pytdscf.basis.Boson method) (pytdscf.basis.boson.Boson method) (pytdscf.Boson method) get_reduced_densities() (pytdscf.wavefunction.WFunc method) get_sqrt_weights() (pytdscf.basis.abc.DVRPrimitivesMixin method) get_tensor_full() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) get_unitary() (pytdscf.basis.abc.DVRPrimitivesMixin method) grid_id (pytdscf.ase_handler.DVR_Mesh attribute)

H

hamiltonian (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute) HamiltonianMixin (class in pytdscf.hamiltonian_cls)

HarmonicOscillator (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.ho)

I

ifft_autocorr() (in module pytdscf.spectra) include_terminal (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.Sine attribute) init_HartreeProduct (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute) init_weight_ESTATE (pytdscf.Model attribute), [1] (pytdscf.model_cls.Model attribute), [1] init_weight_GRID (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute)

init_weight_VIBSTATE (pytdscf.Model attribute), [1] (pytdscf.model_cls.Model attribute), [1] ints_prim (pytdscf.wavefunction.WFunc attribute) ints_prim_file (pytdscf.Model attribute), [1] (pytdscf.model_cls.Model attribute), [1] ints_spf (pytdscf.wavefunction.WFunc attribute), [1] is_hermitian() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) is_op_ovlp() (pytdscf.hamiltonian_cls.TermProductForm method)

J

jobname (pytdscf.ase_handler.DVR_Mesh attribute)

L

legs (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] length (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.Sine attribute)

load() (pytdscf.dvr_operator_cls.TensorOperator class method) (pytdscf.TensorOperator class method) load_autocorr() (in module pytdscf.spectra)

M

m_aux_max (pytdscf.Model attribute), [1] (pytdscf.model_cls.Model attribute), [1] main() (in module pytdscf.util.grid2qff) make_ijk() (in module pytdscf.util.grid2qff) matJ_1D_exciton() (in module pytdscf.util.helper_input) matJ_2D_exciton() (in module pytdscf.util.helper_input) matJ_LH2_exciton() (in module pytdscf.util.helper_input) maxstep (pytdscf.Simulator attribute) (pytdscf.simulator_cls.Simulator attribute) mode_ops (pytdscf.hamiltonian_cls.TermProductForm attribute) Model (class in pytdscf) (class in pytdscf.model_cls) model (pytdscf.properties.Properties attribute) module pytdscf pytdscf.ase_handler pytdscf.basis pytdscf.basis.abc pytdscf.basis.boson pytdscf.basis.exciton pytdscf.basis.exponential pytdscf.basis.ho pytdscf.basis.sin pytdscf.dvr_operator_cls pytdscf.hamiltonian_cls pytdscf.model_cls pytdscf.potentials pytdscf.potentials.c10h12_local_potential pytdscf.potentials.c12h14_local_potential pytdscf.potentials.c14h16_local_potential pytdscf.potentials.c2h4_potential pytdscf.potentials.c4h6_local_dipole pytdscf.potentials.c4h6_local_potential pytdscf.potentials.c6h8_local_dipole pytdscf.potentials.c6h8_local_potential pytdscf.potentials.c6h8_potential pytdscf.potentials.c8h10_local_potential pytdscf.potentials.ch2o_dipole pytdscf.potentials.ch2o_potential pytdscf.potentials.h2o_dipole pytdscf.potentials.h2o_potential pytdscf.potentials.wat3_dipole pytdscf.potentials.wat3_potential pytdscf.potentials.wat6_dipole pytdscf.potentials.wat6_potential pytdscf.properties pytdscf.simulator_cls pytdscf.spectra pytdscf.units pytdscf.util pytdscf.util.anim_density_matrix pytdscf.util.gout2dipole pytdscf.util.gout2mop pytdscf.util.grid2qff pytdscf.util.helper_input pytdscf.util.hess_util pytdscf.util.korig2mop pytdscf.util.korig2op pytdscf.util.minfo2gout pytdscf.util.mop2korig pytdscf.util.plot_heatmap pytdscf.util.read_nc pytdscf.wavefunction

mpo (pytdscf.hamiltonian_cls.TensorHamiltonian attribute), [1] (pytdscf.TensorHamiltonian attribute), [1]

N

name (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.hamiltonian_cls.HamiltonianMixin attribute) (pytdscf.TensorOperator attribute), [1] names (pytdscf.basis.Boson attribute) (pytdscf.basis.boson.Boson attribute) (pytdscf.basis.Exciton attribute) (pytdscf.basis.exciton.Exciton attribute) (pytdscf.Boson attribute) (pytdscf.Exciton attribute) ndof (pytdscf.BasInfo attribute) (pytdscf.hamiltonian_cls.HamiltonianMixin attribute) (pytdscf.model_cls.BasInfo attribute) ngrid (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.HarmonicOscillator attribute) (pytdscf.Sine attribute) norm() (pytdscf.wavefunction.WFunc method) nprim (pytdscf.basis.Boson property) (pytdscf.basis.boson.Boson property) (pytdscf.basis.Exciton property) (pytdscf.basis.exciton.Exciton property) (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.basis.ho.PrimBas_HO attribute) (pytdscf.basis.PrimBas_HO attribute) (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.Boson property) (pytdscf.Exciton property) (pytdscf.HarmonicOscillator attribute) (pytdscf.PrimBas_HO attribute) (pytdscf.Sine attribute)

nspf (pytdscf.BasInfo attribute) (pytdscf.model_cls.BasInfo attribute) nspf_list (pytdscf.BasInfo attribute) (pytdscf.model_cls.BasInfo attribute) nspf_rangelist (pytdscf.BasInfo attribute) (pytdscf.model_cls.BasInfo attribute) nstate (pytdscf.BasInfo attribute) (pytdscf.basis.Boson attribute) (pytdscf.basis.boson.Boson attribute) (pytdscf.basis.Exciton attribute) (pytdscf.basis.exciton.Exciton attribute) (pytdscf.Boson attribute) (pytdscf.Exciton attribute) (pytdscf.model_cls.BasInfo attribute) nstete (pytdscf.hamiltonian_cls.HamiltonianMixin attribute)

O

observables (pytdscf.Model attribute) (pytdscf.model_cls.Model attribute) omega (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.HarmonicOscillator attribute) onesite (pytdscf.hamiltonian_cls.PolynomialHamiltonian attribute) onesite_name (pytdscf.hamiltonian_cls.HamiltonianMixin attribute) only_diag (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] op_dofs (pytdscf.hamiltonian_cls.TermOneSiteForm attribute) (pytdscf.hamiltonian_cls.TermProductForm attribute)

op_keys (pytdscf.hamiltonian_cls.TermOneSiteForm attribute) (pytdscf.hamiltonian_cls.TermProductForm attribute) operate() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) origin (pytdscf.basis.ho.PrimBas_HO attribute), [1] (pytdscf.basis.PrimBas_HO attribute), [1] (pytdscf.PrimBas_HO attribute), [1] origin_mwc (pytdscf.basis.ho.PrimBas_HO attribute) (pytdscf.basis.PrimBas_HO attribute) (pytdscf.PrimBas_HO attribute)

P

plot_autocorr() (in module pytdscf.spectra) plot_dvr() (pytdscf.basis.abc.DVRPrimitivesMixin method) plot_each_element() (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method) plot_fbr() (pytdscf.basis.abc.DVRPrimitivesMixin method) plot_spectrum() (in module pytdscf.spectra) PolynomialHamiltonian (class in pytdscf.hamiltonian_cls) pop_states() (pytdscf.wavefunction.WFunc method) pops (pytdscf.properties.Properties attribute) PotentialFunction (class in pytdscf.dvr_operator_cls) prim_info (pytdscf.BasInfo attribute) (pytdscf.model_cls.BasInfo attribute) PrimBas_HO (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.ho) propagate() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) (pytdscf.wavefunction.WFunc method) propagate_CMF() (pytdscf.wavefunction.WFunc method) propagate_SM() (pytdscf.wavefunction.WFunc method) Properties (class in pytdscf.properties) pytdscf module pytdscf.ase_handler module pytdscf.basis module pytdscf.basis.abc module pytdscf.basis.boson module pytdscf.basis.exciton module pytdscf.basis.exponential module pytdscf.basis.ho module pytdscf.basis.sin module pytdscf.dvr_operator_cls module pytdscf.hamiltonian_cls module pytdscf.model_cls module pytdscf.potentials module pytdscf.potentials.c10h12_local_potential module pytdscf.potentials.c12h14_local_potential module pytdscf.potentials.c14h16_local_potential module pytdscf.potentials.c2h4_potential module pytdscf.potentials.c4h6_local_dipole module pytdscf.potentials.c4h6_local_potential module pytdscf.potentials.c6h8_local_dipole module

pytdscf.potentials.c6h8_local_potential module pytdscf.potentials.c6h8_potential module pytdscf.potentials.c8h10_local_potential module pytdscf.potentials.ch2o_dipole module pytdscf.potentials.ch2o_potential module pytdscf.potentials.h2o_dipole module pytdscf.potentials.h2o_potential module pytdscf.potentials.wat3_dipole module pytdscf.potentials.wat3_potential module pytdscf.potentials.wat6_dipole module pytdscf.potentials.wat6_potential module pytdscf.properties module pytdscf.simulator_cls module pytdscf.spectra module pytdscf.units module pytdscf.util module pytdscf.util.anim_density_matrix module pytdscf.util.gout2dipole module pytdscf.util.gout2mop module pytdscf.util.grid2qff module pytdscf.util.helper_input module pytdscf.util.hess_util module pytdscf.util.korig2mop module pytdscf.util.korig2op module pytdscf.util.minfo2gout module pytdscf.util.mop2korig module pytdscf.util.plot_heatmap module pytdscf.util.read_nc module pytdscf.wavefunction module

Q

q_eq (pytdscf.basis.HarmonicOscillator attribute) (pytdscf.basis.ho.HarmonicOscillator attribute) (pytdscf.HarmonicOscillator attribute)

R

read_fchk_g16() (in module pytdscf.util.hess_util) read_minfo() (in module pytdscf.util.hess_util) read_nc() (in module pytdscf.util) (in module pytdscf.util.read_nc) read_potential_nMR() (in module pytdscf) (in module pytdscf.hamiltonian_cls)

relax() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) remain_jobs (pytdscf.ase_handler.DVR_Mesh attribute) reset_calc (pytdscf.ase_handler.DVR_Mesh attribute) restore_from_decoposed() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) rows (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation property)

S

save() (pytdscf.dvr_operator_cls.TensorOperator method) (pytdscf.TensorOperator method) save_animation() (in module pytdscf.util.anim_density_matrix) save_geoms() (pytdscf.ase_handler.DVR_Mesh method) save_wavefunction() (pytdscf.Simulator method) (pytdscf.simulator_cls.Simulator method) set_ax() (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method) set_blockop_key() (pytdscf.hamiltonian_cls.TermProductForm method) set_ConIns_potential() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) set_cyclic_colorbar() (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method) set_henon_heiles() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) set_henon_heiles_2D_4th() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) set_HO_potential() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) set_HO_potential_ham1() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method)

set_LVC() (pytdscf.hamiltonian_cls.PolynomialHamiltonian method) setup_figure() (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method) shape (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] Simulator (class in pytdscf) (class in pytdscf.simulator_cls) Sine (class in pytdscf) (class in pytdscf.basis) (class in pytdscf.basis.sin) space (pytdscf.Model attribute) spf_coef (pytdscf.wavefunction.WFunc attribute) spf_info (pytdscf.BasInfo attribute) (pytdscf.model_cls.BasInfo attribute) stepsize (pytdscf.Simulator attribute) (pytdscf.simulator_cls.Simulator attribute)

T

t2_trick (pytdscf.properties.Properties attribute) tensor_decomposed (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] tensor_dict_to_mpo() (in module pytdscf.dvr_operator_cls) tensor_dict_to_tensor_op() (in module pytdscf.dvr_operator_cls) tensor_full (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] tensor_orig (pytdscf.dvr_operator_cls.TensorOperator attribute), [1] (pytdscf.TensorOperator attribute), [1] TensorHamiltonian (class in pytdscf) (class in pytdscf.hamiltonian_cls)

TensorOperator (class in pytdscf) (class in pytdscf.dvr_operator_cls) term_key() (pytdscf.hamiltonian_cls.TermProductForm method) TermOneSiteForm (class in pytdscf.hamiltonian_cls) TermProductForm (class in pytdscf.hamiltonian_cls) thrown_jobs (pytdscf.ase_handler.DVR_Mesh attribute) time (pytdscf.properties.Properties attribute) todvr() (pytdscf.basis.ho.PrimBas_HO method) (pytdscf.basis.PrimBas_HO method) (pytdscf.PrimBas_HO method) truncate_terms() (in module pytdscf.hamiltonian_cls)

U

update() (pytdscf.properties.Properties method) (pytdscf.util.anim_density_matrix.ComplexMatrixAnimation method)

W

wf (pytdscf.properties.Properties attribute)

WFunc (class in pytdscf.wavefunction)

X

x0 (pytdscf.basis.sin.Sine attribute) (pytdscf.basis.Sine attribute) (pytdscf.Sine attribute)