pyVCHAM
Documentation Sections:
Modules
Constants Module
Constants Module
Coupling Functions Module
Coupling Calculations Module
Functions
Variables
Diabatic Functions Module
Functions
Variables
LVC Module
Optimization Diagonalization Module
Symmetry VCHAM Module
Utils Module
Core Modules
Utility Modules
pyVCHAM
Index
Index
_
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A
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B
|
C
|
D
|
E
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G
|
H
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I
|
J
|
K
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L
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M
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O
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P
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R
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S
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T
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U
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V
_
__init__() (lvc.LVCHam method)
(utils.CustomEncoder method)
A
AU_TO_EV (in module constants)
AU_TO_J (in module constants)
B
build_vcham_tensor() (lvc.LVCHam method)
C
C (in module constants)
CM (utils.MoleculeDipoleSettings attribute)
CM1_TO_AU (in module constants)
constants
module
couplingfunct
module
create_jt_off_diag() (lvc.LVCHam method)
create_symmetry_matrix() (symm_vcham.SymmetryMask class method)
CustomEncoder (class in utils)
D
default() (utils.CustomEncoder method)
diabfunct
module
dipole_interaction() (in module utils)
DipoleConfig (class in utils)
E
encode() (utils.CustomEncoder method)
G
general_morse_np() (in module diabfunct)
general_morse_tf() (in module diabfunct)
general_quartic_potential() (in module diabfunct)
get_operation_result() (symm_vcham.SymmetryMask class method)
get_product_table() (symm_vcham.SymmetryMask class method)
get_total_sym_irrep() (symm_vcham.SymmetryMask class method)
H
H (in module constants)
harmonic_oscillator() (in module diabfunct)
I
initialize_loss_function() (lvc.LVCHam method)
initialize_params() (lvc.LVCHam method)
item_separator (utils.CustomEncoder attribute)
iterencode() (utils.CustomEncoder method)
J
jsons_to_mctdh() (in module utils)
K
key_separator (utils.CustomEncoder attribute)
L
linear_coupling() (in module couplingfunct)
lvc
module
LVCHam (class in lvc)
M
module
constants
couplingfunct
diabfunct
lvc
symm_vcham
utils
mol_idx (utils.MoleculeDipoleSettings attribute)
MoleculeDipoleSettings (class in utils)
molecules (utils.DipoleConfig attribute)
O
optimize() (lvc.LVCHam method)
P
plot_results() (lvc.LVCHam method)
process_parameters() (in module utils)
product_tables (symm_vcham.SymmetryMask attribute)
R
read_xyz() (in module utils)
rot_angles (utils.MoleculeDipoleSettings attribute)
rotate_dipole() (in module utils)
S
selected_pairs (utils.DipoleConfig attribute)
selected_states (utils.MoleculeDipoleSettings attribute)
symm_vcham
module
SymmetryMask (class in symm_vcham)
T
train_step() (lvc.LVCHam method)
U
utils
module
V
VCSystem_to_json() (in module utils)