Index

A

add_selective_dynamics() (surface_pd.core.EnumerationSlab method)

apply_enumeration() (surface_pd.core.EnumWithComposition method)

C

calculate_num_sites() (surface_pd.core.EnumerationSlab method)

calculate_shift_energy() (surface_pd.plot.PdData method) check_rotate() (surface_pd.core.EnumerationSlab method)

D

direction (surface_pd.core.EnumerationSlab property)

E

EnumerationSlab (class in surface_pd.core)

EnumWithComposition (class in surface_pd.core)

G

g_oxygen() (surface_pd.plot.SurfaceEnergy method) generate_supplemental_structures() (surface_pd.core.EnumerationSlab method) get_alignment_reference() (surface_pd.plot.PdData method) get_center_sites() (surface_pd.core.EnumerationSlab method)

get_gibbs_free_energy() (surface_pd.plot.SurfaceEnergy method) get_max_min_c_frac() (surface_pd.core.EnumerationSlab method) get_surface_energy() (surface_pd.plot.PdData method) group_atoms_by_layer() (surface_pd.core.EnumerationSlab method)

I

IncompatibleSymmError (class in surface_pd.error) index_extraction() (surface_pd.core.EnumerationSlab method)

InvalidCompositionError (class in surface_pd.error) InvalidInputFormatError (class in surface_pd.error) is_symmetry() (surface_pd.core.EnumerationSlab method)

L

layer_distinguisher() (surface_pd.core.EnumerationSlab method)

layers_finder() (surface_pd.core.EnumerationSlab method)

N

NoInversionSymmetryError (class in surface_pd.error) NonCentralInversionSymmetryError (class in surface_pd.error) NonDefinedSelectiveDynamicsError (class in surface_pd.error)

NonIntegerError (class in surface_pd.error) NonSlabError (class in surface_pd.error) num_enumerated_layers (surface_pd.core.EnumerationSlab property)

O

o2_ev_per_molecule (surface_pd.plot.ReferenceEnergies property)

P

PdData (class in surface_pd.plot)

PrimitiveStructureFinderError (class in surface_pd.error)

R

ReferenceEnergies (class in surface_pd.plot)

S

SlabOrientationError (class in surface_pd.error) standardize_pd_data() (surface_pd.plot.PdData method) surface_substitute() (surface_pd.core.EnumerationSlab method)

SurfaceEnergy (class in surface_pd.plot) symmetric (surface_pd.core.EnumerationSlab property) symmetrize_top_base() (surface_pd.core.EnumerationSlab method)

T

to_be_enumerated_species (surface_pd.core.EnumerationSlab property) tolerance (surface_pd.core.EnumerationSlab property) TooLargeSlabError (class in surface_pd.error)

transition_metal (surface_pd.plot.PdData property) tune_c() (surface_pd.core.EnumerationSlab method) tune_isc() (surface_pd.core.EnumerationSlab method)

W

wrap_pbc() (surface_pd.core.EnumerationSlab method)