CASM::DoF_impl::OccupationDoFSpecs Struct Reference

#include <OccupationDoFTraits.hh>

Inheritance diagram for CASM::DoF_impl::OccupationDoFSpecs:

Detailed Description

Use to specify how to construct site basis functions for occupation DoF

The OccupationDoFSpecs are added to BasisFunctionSpecs to provide input to the OccupationDoFTraits::construct_site_bases method

Examples, inserting OccupationDoFSpecs into BasisFunctionSpecs:

BasisFunctionSpecs bspecs;
bspecs.dof_specs.insert(DoFType::chebychev_bfuncs());

BasisFunctionSpecs bspecs;
bspecs.dof_specs.insert(DoFType::chebychev_bfuncs());

BasisFunctionSpecs bspecs;
bspecs.dof_specs.insert(
  DoFType::composition_bfuncs( {
    { {0, 1}, {{"A", 0.5}, {"B", 0.5}} },
    { {2, 3}, {{"C", 0.25}, {"D", 0.75}} }
  }));

Definition at line 61 of file OccupationDoFTraits.hh.

Public Member Functions
	OccupationDoFSpecs (SITE_BASIS_FUNCTION_TYPE _site_basis_function_type)
	Constructor for any SITE_BASIS_FUNCTION_TYPE. More...
	OccupationDoFSpecs (std::vector< SublatComp > _sublat_composition)
	Specialized constructor for SITE_BASIS_FUNCTION_TYPE::COMPOSITION. More...
DoFKey	name () const
std::unique_ptr< Cloneable >	clone () const
std::unique_ptr< Cloneable >	move ()

Public Attributes
SITE_BASIS_FUNCTION_TYPE	site_basis_function_type
std::vector< SublatComp >	sublat_composition

Private Member Functions
std::string	_name () const override
virtual Cloneable *	_clone () const =0
virtual Cloneable *	_move ()=0

Constructor & Destructor Documentation

OccupationDoFSpecs() [1/2]

CASM::DoF_impl::OccupationDoFSpecs::OccupationDoFSpecs ( SITE_BASIS_FUNCTION_TYPE  _site_basis_function_type )

inline

Constructor for any SITE_BASIS_FUNCTION_TYPE.

Definition at line 63 of file OccupationDoFTraits.hh.

OccupationDoFSpecs() [2/2]

CASM::DoF_impl::OccupationDoFSpecs::OccupationDoFSpecs ( std::vector< SublatComp >  _sublat_composition )

inline

Specialized constructor for SITE_BASIS_FUNCTION_TYPE::COMPOSITION.

Definition at line 67 of file OccupationDoFTraits.hh.

Member Function Documentation

_clone()

virtual Cloneable* notstd::Cloneable::_clone ( ) const

privatepure virtualinherited

_move()

virtual Cloneable* notstd::Cloneable::_move ( )

privatepure virtualinherited

_name()

std::string CASM::DoF_impl::OccupationDoFSpecs::_name ( ) const

overrideprivatevirtual

Implements CASM::DoFSpecs.

Definition at line 37 of file OccupationDoFTraits.cc.

clone()

std::unique_ptr<Cloneable> notstd::Cloneable::clone ( ) const

inlineinherited

Definition at line 92 of file cloneable_ptr.hh.

move()

std::unique_ptr<Cloneable> notstd::Cloneable::move ( )

inlineinherited

Definition at line 95 of file cloneable_ptr.hh.

name()

DoFKey CASM::DoFSpecs::name ( ) const

inlineinherited

Definition at line 151 of file BasisFunctionSpecs.hh.

Member Data Documentation

site_basis_function_type

SITE_BASIS_FUNCTION_TYPE CASM::DoF_impl::OccupationDoFSpecs::site_basis_function_type

Definition at line 71 of file OccupationDoFTraits.hh.

sublat_composition

std::vector<SublatComp> CASM::DoF_impl::OccupationDoFSpecs::sublat_composition

Definition at line 72 of file OccupationDoFTraits.hh.

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The documentation for this struct was generated from the following files:

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/basis_set/OccupationDoFTraits.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/basis_set/OccupationDoFTraits.cc