Index

A

aligned_hetero_structures() (in module hetero2d.manipulate.heterotransmuter) all_nn_info() (hetero2d.manipulate.utils.nn_site_indices method) as_dict() (hetero2d.io.VaspInterfaceSet.CMDLInterfaceSet method)

atomic_distance() (in module hetero2d.manipulate.utils) average_z_sep() (in module hetero2d.manipulate.utils) avg_site_bond_dist() (hetero2d.manipulate.utils.nn_site_indices method)

C

center_slab() (in module hetero2d.manipulate.utils) CMDLInterfaceSet (class in hetero2d.io.VaspInterfaceSet)

CMDLRelaxSet (class in hetero2d.io.VaspInterfaceSet) CONFIG (hetero2d.io.VaspInterfaceSet.CMDLRelaxSet attribute) CreateHeterostructureTask (class in hetero2d.firetasks.heteroiface_tasks)

F

find() (in module hetero2d.firetasks.heteroiface_tasks)

G

generate_all_configs() (in module hetero2d.manipulate.heterotransmuter) GenHeteroStructuresFW (class in hetero2d.fireworks.core) get_fu() (in module hetero2d.manipulate.utils)

get_FWjson() (in module hetero2d.firetasks.heteroiface_tasks) get_heterostructures_stabilityWF() (in module hetero2d.workflow.core) get_key() (in module hetero2d.manipulate.utils) get_mongo_client() (in module hetero2d.manipulate.utils)

H

hetero2d module hetero2d.firetasks module hetero2d.firetasks.heteroiface_tasks module hetero2d.firetasks.parse_outputs module hetero2d.firetasks.run_calc module hetero2d.firetasks.write_inputs module hetero2d.fireworks module hetero2d.fireworks.core module hetero2d.io module

hetero2d.io.VaspInterfaceSet module hetero2d.manipulate module hetero2d.manipulate.heterotransmuter module hetero2d.manipulate.layersolver module hetero2d.manipulate.utils module hetero2d.workflow module hetero2d.workflow.core module hetero_interfaces() (in module hetero2d.manipulate.heterotransmuter) HeteroAnalysisToDb (class in hetero2d.firetasks.parse_outputs) HeteroOptimizeFW (class in hetero2d.fireworks.core) HeteroStructuresFW (class in hetero2d.fireworks.core) HeteroTaskDoc() (in module hetero2d.firetasks.parse_outputs)

I

iface_layer_locator() (in module hetero2d.manipulate.utils)

iface_name() (in module hetero2d.manipulate.heterotransmuter) image_filter() (hetero2d.manipulate.utils.nn_site_indices method)

K

kpoints() (hetero2d.io.VaspInterfaceSet.CMDLInterfaceSet property)

L

LayerSolver() (in module hetero2d.manipulate.layersolver)

M

module hetero2d hetero2d.firetasks hetero2d.firetasks.heteroiface_tasks hetero2d.firetasks.parse_outputs hetero2d.firetasks.run_calc hetero2d.firetasks.write_inputs hetero2d.fireworks hetero2d.fireworks.core hetero2d.io hetero2d.io.VaspInterfaceSet hetero2d.manipulate hetero2d.manipulate.heterotransmuter hetero2d.manipulate.layersolver hetero2d.manipulate.utils hetero2d.workflow hetero2d.workflow.core

N

nn_site_indices (class in hetero2d.manipulate.utils)

O

optional_params (hetero2d.firetasks.heteroiface_tasks.CreateHeterostructureTask attribute) (hetero2d.firetasks.parse_outputs.HeteroAnalysisToDb attribute) (hetero2d.firetasks.run_calc.RunVaspCustodian attribute) (hetero2d.firetasks.write_inputs.WriteHeteroStructureIOSet attribute) (hetero2d.firetasks.write_inputs.WriteSlabStructureIOSet attribute)

R

remove_duplicates() (hetero2d.manipulate.utils.nn_site_indices method) (in module hetero2d.manipulate.heterotransmuter) required_params (hetero2d.firetasks.heteroiface_tasks.CreateHeterostructureTask attribute) (hetero2d.firetasks.heteroiface_tasks.TransferSlabTask attribute) (hetero2d.firetasks.parse_outputs.HeteroAnalysisToDb attribute) (hetero2d.firetasks.run_calc.RunVaspCustodian attribute) (hetero2d.firetasks.write_inputs.WriteHeteroStructureIOSet attribute) (hetero2d.firetasks.write_inputs.WriteSlabStructureIOSet attribute)

rotate_to_acute() (in module hetero2d.manipulate.heterotransmuter) round_decimals_down() (in module hetero2d.manipulate.utils) run_task() (hetero2d.firetasks.heteroiface_tasks.CreateHeterostructureTask method) (hetero2d.firetasks.heteroiface_tasks.TransferSlabTask method) (hetero2d.firetasks.parse_outputs.HeteroAnalysisToDb method) (hetero2d.firetasks.run_calc.RunVaspCustodian method) (hetero2d.firetasks.write_inputs.WriteHeteroStructureIOSet method) (hetero2d.firetasks.write_inputs.WriteSlabStructureIOSet method) RunVaspCustodian (class in hetero2d.firetasks.run_calc)

S

set_sd_flags() (in module hetero2d.manipulate.utils) show_struct_ase() (in module hetero2d.manipulate.utils) site_elements() (hetero2d.manipulate.utils.nn_site_indices method)

site_indices() (hetero2d.manipulate.utils.nn_site_indices method) slab_from_struct() (in module hetero2d.manipulate.utils) struct_from_str() (in module hetero2d.manipulate.utils) SubstrateSlabFW (class in hetero2d.fireworks.core)

T

tag_iface() (in module hetero2d.manipulate.utils)

TransferSlabTask (class in hetero2d.firetasks.heteroiface_tasks)

W

WriteHeteroStructureIOSet (class in hetero2d.firetasks.write_inputs)

WriteSlabStructureIOSet (class in hetero2d.firetasks.write_inputs)