Index

_

__fromZacrosFile() (ClusterExpansion method) (Lattice method) (Mechanism method)

__updateLabel() (SpeciesList method) _check_zacros_executable() (ZacrosJob class method)

A

add_nearest_neighbor() (Lattice method) add_site_type() (Lattice method) append() (ClusterExpansion method) (Mechanism method)

average_coverage() (ZacrosParametersScanResults method) (ZacrosResults method) (ZacrosSteadyStateResults method) average_coverage_fractions() (ZacrosResults method) average_site_coverage_fractions() (ZacrosResults method)

C

check() (ZacrosJob method) (ZacrosParametersScanJob method) (ZacrosSteadyStateJob method) children_results() (ZacrosParametersScanResults method) (ZacrosSteadyStateResults method)

Cluster (class in scm.pyzacros.core.Cluster) ClusterExpansion (class in scm.pyzacros.core.ClusterExpansion) composition() (Cluster method) (Species method) coverage_fractions() (LatticeState method)

E

elementary_steps_names() (ZacrosResults method) (ZacrosSteadyStateResults method) ElementaryReaction (class in scm.pyzacros.core.ElementaryReaction)

empty() (LatticeState method) extend() (ClusterExpansion method) (Lattice method) (Mechanism method)

F

fill_all_sites() (LatticeState method) fill_site() (LatticeState method) fill_sites_random() (LatticeState method)

find() (ClusterExpansion method) (Mechanism method) find_one() (ClusterExpansion method) (Mechanism method)

G

gas_species() (Cluster method) (ClusterExpansion method) (Mechanism method) (SpeciesList method) gas_species_names() (ZacrosResults method) (ZacrosSteadyStateResults method) get_energetics_input() (ZacrosJob method) get_initial_state_input() (ZacrosJob method) get_input() (ZacrosJob method) get_lattice_input() (ZacrosJob method)

get_mechanism_input() (ZacrosJob method) get_process_statistics() (ZacrosResults method) (ZacrosSteadyStateResults method) get_reaction_network() (ZacrosResults method) (ZacrosSteadyStateResults method) get_restart_input() (ZacrosJob method) get_runscript() (ZacrosJob method) get_simulation_input() (ZacrosJob method) get_zacros_version() (ZacrosResults method) (ZacrosSteadyStateResults method)

H

history() (ZacrosSteadyStateResults method)

I

indices() (ZacrosParametersScanResults method) insert() (ClusterExpansion method) (Mechanism method)

is_adsorbed() (Species method) is_gas() (Species method)

L

label() (Cluster method) (ElementaryReaction method) (SpeciesList method) last_lattice_state() (ZacrosResults method) (ZacrosSteadyStateResults method)

Lattice (class in scm.pyzacros.core.Lattice) lattice_states() (ZacrosResults method) (ZacrosSteadyStateResults method) LatticeState (class in scm.pyzacros.core.LatticeState) load_external() (ZacrosJob class method)

M

mass() (Cluster method) (Species method) (SpeciesList method)

Mechanism (class in scm.pyzacros.core.Mechanism) meshgridGenerator() (ZacrosParametersScanJob static method) molecule_numbers() (ZacrosResults method)

N

niterations() (ZacrosSteadyStateResults method) nreplicas() (ZacrosSteadyStateResults method) number_of_filled_sites() (LatticeState method) number_of_lattice_sites() (ZacrosResults method) (ZacrosSteadyStateResults method)

number_of_process_statistics() (ZacrosResults method) (ZacrosSteadyStateResults method) number_of_sites() (Lattice method) number_of_snapshots() (ZacrosResults method) (ZacrosSteadyStateResults method)

P

plot() (Lattice method) (LatticeState method) plot_lattice_states() (ZacrosResults method) (ZacrosSteadyStateResults method) plot_molecule_numbers() (ZacrosResults method) (ZacrosSteadyStateResults method)

plot_process_statistics() (ZacrosResults method) (ZacrosSteadyStateResults method) provided_quantities() (ZacrosResults method) (ZacrosSteadyStateResults method) provided_quantities_names() (ZacrosResults method)

R

remove_duplicates() (SpeciesList method) replace_site_types() (Cluster method) (ClusterExpansion method) (ElementaryReaction method) (Lattice method) (Mechanism method)

restart_aborted() (ZacrosJob method) run() (ZacrosJob method) (ZacrosParametersScanJob method) (ZacrosSteadyStateJob method)

S

set_repeat_cell() (Lattice method) Settings (class in scm.pyzacros.core.Settings) site_coverage_fractions() (LatticeState method) site_type_names() (ZacrosResults method) (ZacrosSteadyStateResults method) site_types_set() (Cluster method) (ClusterExpansion method) (ElementaryReaction method) (Lattice method) (Mechanism method)

Species (class in scm.pyzacros.core.Species) species() (Mechanism method) SpeciesList (class in scm.pyzacros.core.SpeciesList) surface_poisoned() (ZacrosJob method) surface_species() (Cluster method) (ClusterExpansion method) (Mechanism method) (SpeciesList method) surface_species_names() (ZacrosResults method) (ZacrosSteadyStateResults method)

T

turnover_frequency() (ZacrosParametersScanResults method) (ZacrosResults method)

Z

ZacrosJob (class in scm.pyzacros.core.ZacrosJob) ZacrosParametersScanJob (class in scm.pyzacros.core.ZacrosParametersScanJob) ZacrosParametersScanJob.Parameter (class in scm.pyzacros) ZacrosParametersScanJob.Parameters (class in scm.pyzacros) ZacrosParametersScanResults (class in scm.pyzacros.core.ZacrosParametersScanJob)

ZacrosResults (class in scm.pyzacros.core.ZacrosResults) ZacrosSteadyStateJob (class in scm.pyzacros.core.ZacrosSteadyStateJob) ZacrosSteadyStateJob.Parameter (class in scm.pyzacros) ZacrosSteadyStateJob.Parameters (class in scm.pyzacros) ZacrosSteadyStateResults (class in scm.pyzacros.core.ZacrosSteadyStateJob) zipGenerator() (ZacrosParametersScanJob static method)