Index

A

add_edge() (graph_theory.Graph method)

add_vertex() (graph_theory.Graph method)

C

cat_optimize (class in cat_optimize) (module) cat_structure (class in Cat_structure)

Cat_structure (module) copy_data() (Cat_structure.cat_structure method) (graph_theory.Graph method)

E

edges() (graph_theory.Graph method)

eval_current_density() (Cat_structure.cat_structure method) eval_surface_energy() (Cat_structure.cat_structure method)

F

flip_atom() (Cat_structure.cat_structure method)

G

geo_crossover() (cat_optimize.cat_optimize method) get_coordination_number() (graph_theory.Graph method) get_defected_mols() (Cat_structure.cat_structure method) get_generalized_coordination_number() (graph_theory.Graph method)

get_Nnn() (Cat_structure.cat_structure method) get_OF() (cat_optimize.cat_optimize method) get_OFs() (cat_optimize.cat_optimize method) Graph (class in graph_theory) graph_theory (module)

L

load_from_file() (Cat_structure.cat_structure method)

M

metal (module)

N

NeuralNetwork (module)

O

optimize() (in module sim_anneal)

ORR (module) ORR_rate() (in module ORR)

P

plot_pop_MO() (in module plotpop)

plot_pop_SO() (in module plotpop) plotpop (module)

R

randomize() (Cat_structure.cat_structure method)

remove_vertex() (graph_theory.Graph method)

S

show() (Cat_structure.cat_structure method)

sim_anneal (module)

V

vertices() (graph_theory.Graph method)