Index

A

a (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) alpha (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) angles (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) atomic_number() (in module httk.atomistic) (in module httk.atomistic.elements)

attached (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property)

B

b (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) backend_classes (httk.atomistic.cell_backend.CellBackend attribute) (httk.atomistic.CellBackend attribute) (httk.atomistic.sites_backend.SitesBackend attribute) (httk.atomistic.SitesBackend attribute) (httk.atomistic.species_backend.SpeciesBackend attribute) (httk.atomistic.SpeciesBackend attribute) (httk.atomistic.structure_backend.StructureBackend attribute) (httk.atomistic.StructureBackend attribute) basis (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property)

beta (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property)

C

c (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property) cartesian_sites() (httk.atomistic.numeric_structure.NumericStructure method) (httk.atomistic.NumericStructure method) (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) Cell (class in httk.atomistic) (class in httk.atomistic.cell) cell (httk.atomistic.numeric_structure.NumericStructure property) (httk.atomistic.NumericStructure property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_simple.StructureSimple property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureSimple property) CellAPI (class in httk.atomistic) (class in httk.atomistic.cell_api) CellBackend (class in httk.atomistic) (class in httk.atomistic.cell_backend) CellClass (class in httk.atomistic) (class in httk.atomistic.cell_class) CellClassView (class in httk.atomistic) (class in httk.atomistic.cell_class_view) CellLike (in module httk.atomistic) (in module httk.atomistic.cell_like) CellNumericView (class in httk.atomistic) (class in httk.atomistic.cell_numeric_view)

CellParams (class in httk.atomistic) (class in httk.atomistic.cell_params) CellParamsView (class in httk.atomistic) (class in httk.atomistic.cell_params_view) CellPrimitive (class in httk.atomistic) (class in httk.atomistic.cell_primitive) CellPrimitiveView (class in httk.atomistic) (class in httk.atomistic.cell_primitive_view) CellView (class in httk.atomistic) (class in httk.atomistic.cell_view) chemical_symbols (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) columns() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) concentration (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) create() (httk.atomistic.Species class method) (httk.atomistic.species.Species class method)

E

entry_types() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) exact (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.numeric_sites.NumericSites property) (httk.atomistic.numeric_structure.NumericStructure property) (httk.atomistic.NumericCell property) (httk.atomistic.NumericSites property) (httk.atomistic.NumericStructure property)

G

gamma (httk.atomistic.cell_params_view.CellParamsView property) (httk.atomistic.CellParamsView property)

H

httk.atomistic module httk.atomistic.cell module httk.atomistic.cell_api module httk.atomistic.cell_backend module httk.atomistic.cell_class module httk.atomistic.cell_class_view module httk.atomistic.cell_like module httk.atomistic.cell_numeric_view module httk.atomistic.cell_params module httk.atomistic.cell_params_view module httk.atomistic.cell_primitive module httk.atomistic.cell_primitive_view module httk.atomistic.cell_view module httk.atomistic.elements module httk.atomistic.numeric_cell module httk.atomistic.numeric_sites module httk.atomistic.numeric_structure module httk.atomistic.sites module httk.atomistic.sites_api module httk.atomistic.sites_backend module httk.atomistic.sites_class module httk.atomistic.sites_class_view module httk.atomistic.sites_like module httk.atomistic.sites_numeric_view module httk.atomistic.sites_primitive module

httk.atomistic.sites_primitive_view module httk.atomistic.sites_view module httk.atomistic.species module httk.atomistic.species_api module httk.atomistic.species_backend module httk.atomistic.species_class module httk.atomistic.species_class_view module httk.atomistic.species_like module httk.atomistic.species_primitive module httk.atomistic.species_primitive_view module httk.atomistic.species_view module httk.atomistic.structure module httk.atomistic.structure_api module httk.atomistic.structure_backend module httk.atomistic.structure_entries module httk.atomistic.structure_like module httk.atomistic.structure_numeric_view module httk.atomistic.structure_primitive module httk.atomistic.structure_primitive_view module httk.atomistic.structure_simple module httk.atomistic.structure_simple_view module httk.atomistic.structure_view module httk.atomistic.vasp_structures module httk.handlers.atomistic module

I

is_single_element (httk.atomistic.Species property) (httk.atomistic.species.Species property)

L

lengths (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property)

load_structure() (in module httk.atomistic) (in module httk.atomistic.vasp_structures)

M

mass (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) metric() (httk.atomistic.Cell method) (httk.atomistic.cell.Cell method) (httk.atomistic.numeric_cell.NumericCell method) (httk.atomistic.NumericCell method) module httk.atomistic httk.atomistic.cell httk.atomistic.cell_api httk.atomistic.cell_backend httk.atomistic.cell_class httk.atomistic.cell_class_view httk.atomistic.cell_like httk.atomistic.cell_numeric_view httk.atomistic.cell_params httk.atomistic.cell_params_view httk.atomistic.cell_primitive httk.atomistic.cell_primitive_view httk.atomistic.cell_view httk.atomistic.elements httk.atomistic.numeric_cell httk.atomistic.numeric_sites httk.atomistic.numeric_structure httk.atomistic.sites httk.atomistic.sites_api httk.atomistic.sites_backend httk.atomistic.sites_class httk.atomistic.sites_class_view httk.atomistic.sites_like httk.atomistic.sites_numeric_view httk.atomistic.sites_primitive httk.atomistic.sites_primitive_view httk.atomistic.sites_view httk.atomistic.species httk.atomistic.species_api httk.atomistic.species_backend httk.atomistic.species_class httk.atomistic.species_class_view httk.atomistic.species_like httk.atomistic.species_primitive httk.atomistic.species_primitive_view httk.atomistic.species_view httk.atomistic.structure httk.atomistic.structure_api httk.atomistic.structure_backend httk.atomistic.structure_entries httk.atomistic.structure_like httk.atomistic.structure_numeric_view httk.atomistic.structure_primitive httk.atomistic.structure_primitive_view httk.atomistic.structure_simple httk.atomistic.structure_simple_view httk.atomistic.structure_view httk.atomistic.vasp_structures httk.handlers.atomistic

N

name (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property) nattached (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property)

numeric() (httk.atomistic.Cell method) (httk.atomistic.cell.Cell method) (httk.atomistic.Sites method) (httk.atomistic.sites.Sites method) (httk.atomistic.Structure method) (httk.atomistic.structure.Structure method) NumericCell (class in httk.atomistic) (class in httk.atomistic.numeric_cell) NumericSites (class in httk.atomistic) (class in httk.atomistic.numeric_sites) NumericStructure (class in httk.atomistic) (class in httk.atomistic.numeric_structure)

O

original_name (httk.atomistic.Species attribute) (httk.atomistic.species.Species attribute) (httk.atomistic.species_api.SpeciesAPI property) (httk.atomistic.species_class.SpeciesClass property) (httk.atomistic.species_primitive.SpeciesPrimitive property) (httk.atomistic.SpeciesAPI property) (httk.atomistic.SpeciesClass property) (httk.atomistic.SpeciesPrimitive property)

P

params (httk.atomistic.cell_params.CellParams property) (httk.atomistic.CellParams property)

R

records() (httk.atomistic.structure_entries.StructureEntryProvider method) (httk.atomistic.StructureEntryProvider method) reduced_coords (httk.atomistic.numeric_sites.NumericSites property) (httk.atomistic.NumericSites property) (httk.atomistic.Sites property) (httk.atomistic.sites.Sites property) (httk.atomistic.sites_api.SitesAPI property) (httk.atomistic.sites_class.SitesClass property) (httk.atomistic.sites_primitive.SitesPrimitive property) (httk.atomistic.SitesAPI property) (httk.atomistic.SitesClass property) (httk.atomistic.SitesPrimitive property)

S

scale (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) Sites (class in httk.atomistic) (class in httk.atomistic.sites) sites (httk.atomistic.numeric_structure.NumericStructure property) (httk.atomistic.NumericStructure property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_simple.StructureSimple property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureSimple property) SitesAPI (class in httk.atomistic) (class in httk.atomistic.sites_api) SitesBackend (class in httk.atomistic) (class in httk.atomistic.sites_backend) SitesClass (class in httk.atomistic) (class in httk.atomistic.sites_class) SitesClassView (class in httk.atomistic) (class in httk.atomistic.sites_class_view) SitesLike (in module httk.atomistic) (in module httk.atomistic.sites_like) SitesNumericView (class in httk.atomistic) (class in httk.atomistic.sites_numeric_view) SitesPrimitive (class in httk.atomistic) (class in httk.atomistic.sites_primitive) SitesPrimitiveView (class in httk.atomistic) (class in httk.atomistic.sites_primitive_view) SitesView (class in httk.atomistic) (class in httk.atomistic.sites_view) Species (class in httk.atomistic) (class in httk.atomistic.species) species (httk.atomistic.numeric_structure.NumericStructure property) (httk.atomistic.NumericStructure property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_simple.StructureSimple property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureSimple property)

species_at_sites (httk.atomistic.numeric_structure.NumericStructure property) (httk.atomistic.NumericStructure property) (httk.atomistic.Structure property) (httk.atomistic.structure.Structure property) (httk.atomistic.structure_api.StructureAPI property) (httk.atomistic.structure_primitive.StructurePrimitive property) (httk.atomistic.structure_simple.StructureSimple property) (httk.atomistic.StructureAPI property) (httk.atomistic.StructurePrimitive property) (httk.atomistic.StructureSimple property) SpeciesAPI (class in httk.atomistic) (class in httk.atomistic.species_api) SpeciesBackend (class in httk.atomistic) (class in httk.atomistic.species_backend) SpeciesClass (class in httk.atomistic) (class in httk.atomistic.species_class) SpeciesClassView (class in httk.atomistic) (class in httk.atomistic.species_class_view) SpeciesLike (in module httk.atomistic) (in module httk.atomistic.species_like) SpeciesPrimitive (class in httk.atomistic) (class in httk.atomistic.species_primitive) SpeciesPrimitiveView (class in httk.atomistic) (class in httk.atomistic.species_primitive_view) SpeciesView (class in httk.atomistic) (class in httk.atomistic.species_view) Structure (class in httk.atomistic) (class in httk.atomistic.structure) structure_from_poscar() (in module httk.atomistic) (in module httk.atomistic.vasp_structures) StructureAPI (class in httk.atomistic) (class in httk.atomistic.structure_api) StructureBackend (class in httk.atomistic) (class in httk.atomistic.structure_backend) StructureEntryProvider (class in httk.atomistic) (class in httk.atomistic.structure_entries) StructureLike (in module httk.atomistic) (in module httk.atomistic.structure_like) StructureNumericView (class in httk.atomistic) (class in httk.atomistic.structure_numeric_view) StructurePrimitive (class in httk.atomistic) (class in httk.atomistic.structure_primitive) StructurePrimitiveView (class in httk.atomistic) (class in httk.atomistic.structure_primitive_view) StructureSimple (class in httk.atomistic) (class in httk.atomistic.structure_simple) StructureSimpleView (class in httk.atomistic) (class in httk.atomistic.structure_simple_view) StructureView (class in httk.atomistic) (class in httk.atomistic.structure_view) symbol_of() (in module httk.atomistic) (in module httk.atomistic.elements) SYMBOLS (in module httk.atomistic) (in module httk.atomistic.elements)

U

unscaled_basis (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.cell_api.CellAPI property) (httk.atomistic.cell_class.CellClass property) (httk.atomistic.cell_params.CellParams property) (httk.atomistic.cell_primitive.CellPrimitive property) (httk.atomistic.CellAPI property) (httk.atomistic.CellClass property) (httk.atomistic.CellParams property) (httk.atomistic.CellPrimitive property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property) unwrap() (httk.atomistic.cell_class.CellClass method) (httk.atomistic.cell_class_view.CellClassView method) (httk.atomistic.cell_numeric_view.CellNumericView method) (httk.atomistic.cell_params.CellParams method) (httk.atomistic.cell_params_view.CellParamsView method) (httk.atomistic.cell_primitive.CellPrimitive method) (httk.atomistic.cell_primitive_view.CellPrimitiveView method) (httk.atomistic.CellClass method) (httk.atomistic.CellClassView method) (httk.atomistic.CellNumericView method) (httk.atomistic.CellParams method) (httk.atomistic.CellParamsView method) (httk.atomistic.CellPrimitive method) (httk.atomistic.CellPrimitiveView method) (httk.atomistic.sites_class.SitesClass method) (httk.atomistic.sites_class_view.SitesClassView method) (httk.atomistic.sites_numeric_view.SitesNumericView method) (httk.atomistic.sites_primitive.SitesPrimitive method) (httk.atomistic.sites_primitive_view.SitesPrimitiveView method) (httk.atomistic.SitesClass method) (httk.atomistic.SitesClassView method) (httk.atomistic.SitesNumericView method) (httk.atomistic.SitesPrimitive method) (httk.atomistic.SitesPrimitiveView method) (httk.atomistic.species_class.SpeciesClass method) (httk.atomistic.species_class_view.SpeciesClassView method) (httk.atomistic.species_primitive.SpeciesPrimitive method) (httk.atomistic.species_primitive_view.SpeciesPrimitiveView method) (httk.atomistic.SpeciesClass method) (httk.atomistic.SpeciesClassView method) (httk.atomistic.SpeciesPrimitive method) (httk.atomistic.SpeciesPrimitiveView method) (httk.atomistic.structure_numeric_view.StructureNumericView method) (httk.atomistic.structure_primitive.StructurePrimitive method) (httk.atomistic.structure_primitive_view.StructurePrimitiveView method) (httk.atomistic.structure_simple.StructureSimple method) (httk.atomistic.structure_simple_view.StructureSimpleView method) (httk.atomistic.StructureNumericView method) (httk.atomistic.StructurePrimitive method) (httk.atomistic.StructurePrimitiveView method) (httk.atomistic.StructureSimple method) (httk.atomistic.StructureSimpleView method)

V

volume (httk.atomistic.Cell property) (httk.atomistic.cell.Cell property) (httk.atomistic.numeric_cell.NumericCell property) (httk.atomistic.NumericCell property)