Index

A

add_dipole_matrix() (pyvcham.vcham_system.VCSystem method) add_geometry() (pyvcham.vcham_system.VCSystem method)

AU_TO_EV (in module pyvcham.constants) AU_TO_J (in module pyvcham.constants)

C

C (in module pyvcham.constants) CM (pyvcham.utils.Molecule attribute)

CM1_TO_AU (in module pyvcham.constants) coupling_with_gs (pyvcham.vcham_system.VCSystem attribute)

D

database_abinitio (pyvcham.vcham_system.VCSystem attribute) diab_funct (pyvcham.vcham_system.VCSystem attribute)

dipole_matrix (pyvcham.vcham_system.VCSystem attribute) DipoleInteraction (class in pyvcham.utils) displacement_vector (pyvcham.vcham_system.VCSystem attribute)

E

elements (pyvcham.vcham_system.VCSystem attribute)

energy_shift (pyvcham.vcham_system.VCSystem attribute) eulerMatrix() (in module pyvcham.utils)

G

general_morse() (in module pyvcham.diabfunct)

general_quartic_potential() (in module pyvcham.diabfunct)

H

H (in module pyvcham.constants)

harmonic_oscillator() (in module pyvcham.diabfunct)

I

initialize_loss_function() (pyvcham.lvc.LVCHam method)

initialize_params() (pyvcham.lvc.LVCHam method) interacting_states (pyvcham.utils.Molecule attribute)

J

json_to_mctdh() (in module pyvcham.utils)

jt_effects (pyvcham.vcham_system.VCSystem attribute)

L

linear_coupling() (in module pyvcham.couplingfunct)

LVCHam (class in pyvcham.lvc)

M

mctdh_to_json() (in module pyvcham.utils) merge_jsons() (in module pyvcham.utils) module pyvcham.constants pyvcham.couplingfunct pyvcham.diabfunct pyvcham.lvc pyvcham.utils pyvcham.vcham_system

Molecule (class in pyvcham.utils) molecule_idx (pyvcham.utils.Molecule attribute) molecules (pyvcham.utils.DipoleInteraction attribute)

N

number_normal_modes (pyvcham.vcham_system.VCSystem attribute)

number_states (pyvcham.vcham_system.VCSystem attribute)

O

op_to_json() (in module pyvcham.utils)

optimize() (pyvcham.lvc.LVCHam method)

P

pairs_interacting (pyvcham.utils.DipoleInteraction attribute) plot_surfaces_from_json() (in module pyvcham.utils) pyvcham.constants module pyvcham.couplingfunct module pyvcham.diabfunct module

pyvcham.lvc module pyvcham.utils module pyvcham.vcham_system module

R

reference_geometry (pyvcham.vcham_system.VCSystem attribute) rot_angles (pyvcham.utils.Molecule attribute)

rotate_dipole_matrix() (in module pyvcham.utils) rotate_geometry() (in module pyvcham.utils)

S

symmetry_matrix (pyvcham.vcham_system.VCSystem attribute) symmetry_modes (pyvcham.vcham_system.VCSystem attribute)

symmetry_point_group (pyvcham.vcham_system.VCSystem attribute) symmetry_states (pyvcham.vcham_system.VCSystem attribute)

T

totally_sym_irrep (pyvcham.vcham_system.VCSystem attribute)

U

units (pyvcham.vcham_system.VCSystem attribute)

V

vc_type (pyvcham.vcham_system.VCSystem attribute) vcham (pyvcham.vcham_system.VCSystem attribute)

VCSystem (class in pyvcham.vcham_system) VCSystem_to_json() (in module pyvcham.utils) vib_freq (pyvcham.vcham_system.VCSystem attribute)