Index

C

CATC_coupling() (in module fromage.utils.exci_coupling.CATC)

D

diabatize() (in module fromage.utils.exci_coupling.diabatize)

E

EC EEC

Electrostatic embedding element (class in fromage.utils.exci_coupling.elements) Exciton coupling

F

fromage.fdist (module) fromage.utils (module) fromage.utils.exci_coupling (module) fromage.utils.exci_coupling.CATC (module)

fromage.utils.exci_coupling.diabatize (module) fromage.utils.exci_coupling.elements (module) fromage.utils.exci_coupling.read_g09 (module) fromage.utils.exci_coupling.xyz (module) fromage.utils.per_table (module)

H

High level

L

Low level

M

mass (fromage.utils.exci_coupling.elements.element attribute) Mechanical embedding MECI

mg mh ml Model system

N

name (fromage.utils.exci_coupling.elements.element attribute)

num_to_elem() (in module fromage.utils.per_table) number (fromage.utils.exci_coupling.elements.element attribute)

O

ONIOM

open_xyz() (in module fromage.utils.exci_coupling.xyz)

R

read_ES() (in module fromage.utils.exci_coupling.read_g09) read_natoms() (in module fromage.utils.exci_coupling.read_g09) read_NTO() (in module fromage.utils.exci_coupling.read_g09) read_SCF() (in module fromage.utils.exci_coupling.read_g09)

read_TD() (in module fromage.utils.exci_coupling.read_g09) read_xyz() (in module fromage.utils.exci_coupling.read_g09) Real system rl

S

SC-EEC

symbol (fromage.utils.exci_coupling.elements.element attribute) symbols_from_xyz() (in module fromage.utils.exci_coupling.xyz)

X

xyz_to_matrix() (in module fromage.utils.exci_coupling.xyz)