Inheritance diagram for CASM::FCC_ternary_Clexulator:

Detailed Description

Definition at line 29 of file FCC_ternary_Clexulator.cc.

Public Types
typedef unsigned int	size_type

Public Member Functions
	FCC_ternary_Clexulator ()

	~FCC_ternary_Clexulator ()

std::unique_ptr < FCC_ternary_Clexulator >	clone () const
	Clone the FCC_ternary_Clexulator. More...

void	calc_global_corr_contribution (double *corr_begin) const override
	Calculate contribution to global correlations from one unit cell. More...

void	calc_restricted_global_corr_contribution (double corr_begin, size_type const ind_list_begin, size_type const *ind_list_end) const override
	Calculate contribution to select global correlations from one unit cell. More...

void	calc_point_corr (int b_index, double *corr_begin) const override
	Calculate point correlations about basis site 'b_index'. More...

void	calc_restricted_point_corr (int b_index, double corr_begin, size_type const ind_list_begin, size_type const *ind_list_end) const override
	Calculate select point correlations about basis site 'b_index'. More...

void	calc_delta_point_corr (int b_index, int occ_i, int occ_f, double *corr_begin) const override
	Calculate the change in point correlations due to changing an occupant. More...

void	calc_restricted_delta_point_corr (int b_index, int occ_i, int occ_f, double corr_begin, size_type const ind_list_begin, size_type const *ind_list_end) const override
	Calculate the change in select point correlations due to changing an occupant. More...

size_type	nlist_size () const
	Neighbor list size. More...

size_type	corr_size () const
	Number of correlations. More...

const std::set< UnitCellCoord > &	neighborhood () const
	The UnitCellCoord involved in calculating the basis functions, relative origin UnitCell. More...

const std::set< UnitCellCoord > &	neighborhood (size_type linear_orbit_index) const
	The UnitCellCoord involved in calculating the basis functions for a particular orbit, relative origin UnitCell. More...

const PrimNeighborList::Matrix3Type &	weight_matrix () const
	The weight matrix used for ordering the neighbor list. More...

void	set_config_occ (const int *_occ_ptr)
	Set pointer to data structure containing occupation variables. More...

void	set_nlist (const long int *_nlist_ptr)
	Set pointer to neighbor list. More...

Protected Attributes
const int *	m_occ_ptr
	Pointer to beginning of data structure containing occupation variables. More...

const long int *	m_nlist_ptr
	Pointer to neighbor list. More...

std::set< UnitCellCoord >	m_neighborhood
	The UnitCellCoord involved in calculating the basis functions, relative origin UnitCell. More...

std::vector< std::set < UnitCellCoord > >	m_orbit_neighborhood
	The UnitCellCoord involved in calculating the basis functions for a particular orbit, relative origin UnitCell. More...

PrimNeighborList::Matrix3Type	m_weight_matrix
	The weight matrix used for ordering the neighbor list. More...

Private Types
typedef double(FCC_ternary_Clexulator::*	BasisFuncPtr )() const

typedef double(FCC_ternary_Clexulator::*	DeltaBasisFuncPtr )(int, int) const

Private Member Functions
virtual FCC_ternary_Clexulator *	_clone () const override
	Clone the Clexulator. More...

const double &	occ_func_0_0 (const int &nlist_ind) const

const double &	occ_func_0_1 (const int &nlist_ind) const

double	zero_func () const

double	zero_func (int, int) const

double	eval_bfunc_0_0_0 () const

double	eval_bfunc_1_0_0 () const

double	eval_bfunc_1_0_1 () const

double	site_eval_at_0_bfunc_1_0_0 () const

double	site_eval_at_0_bfunc_1_0_1 () const

double	delta_site_eval_at_0_bfunc_1_0_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_1_0_1 (int occ_i, int occ_f) const

double	eval_bfunc_2_0_0 () const

double	eval_bfunc_2_0_1 () const

double	eval_bfunc_2_0_2 () const

double	site_eval_at_0_bfunc_2_0_0 () const

double	site_eval_at_0_bfunc_2_0_1 () const

double	site_eval_at_0_bfunc_2_0_2 () const

double	delta_site_eval_at_0_bfunc_2_0_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_0_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_0_2 (int occ_i, int occ_f) const

double	eval_bfunc_2_1_0 () const

double	eval_bfunc_2_1_1 () const

double	eval_bfunc_2_1_2 () const

double	site_eval_at_0_bfunc_2_1_0 () const

double	site_eval_at_0_bfunc_2_1_1 () const

double	site_eval_at_0_bfunc_2_1_2 () const

double	delta_site_eval_at_0_bfunc_2_1_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_1_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_1_2 (int occ_i, int occ_f) const

double	eval_bfunc_2_2_0 () const

double	eval_bfunc_2_2_1 () const

double	eval_bfunc_2_2_2 () const

double	site_eval_at_0_bfunc_2_2_0 () const

double	site_eval_at_0_bfunc_2_2_1 () const

double	site_eval_at_0_bfunc_2_2_2 () const

double	delta_site_eval_at_0_bfunc_2_2_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_2_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_2_2 (int occ_i, int occ_f) const

double	eval_bfunc_2_3_0 () const

double	eval_bfunc_2_3_1 () const

double	eval_bfunc_2_3_2 () const

double	site_eval_at_0_bfunc_2_3_0 () const

double	site_eval_at_0_bfunc_2_3_1 () const

double	site_eval_at_0_bfunc_2_3_2 () const

double	delta_site_eval_at_0_bfunc_2_3_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_3_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_3_2 (int occ_i, int occ_f) const

double	eval_bfunc_2_4_0 () const

double	eval_bfunc_2_4_1 () const

double	eval_bfunc_2_4_2 () const

double	site_eval_at_0_bfunc_2_4_0 () const

double	site_eval_at_0_bfunc_2_4_1 () const

double	site_eval_at_0_bfunc_2_4_2 () const

double	delta_site_eval_at_0_bfunc_2_4_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_4_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_4_2 (int occ_i, int occ_f) const

double	eval_bfunc_2_5_0 () const

double	eval_bfunc_2_5_1 () const

double	eval_bfunc_2_5_2 () const

double	site_eval_at_0_bfunc_2_5_0 () const

double	site_eval_at_0_bfunc_2_5_1 () const

double	site_eval_at_0_bfunc_2_5_2 () const

double	delta_site_eval_at_0_bfunc_2_5_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_5_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_2_5_2 (int occ_i, int occ_f) const

double	eval_bfunc_3_0_0 () const

double	eval_bfunc_3_0_1 () const

double	eval_bfunc_3_0_2 () const

double	eval_bfunc_3_0_3 () const

double	site_eval_at_0_bfunc_3_0_0 () const

double	site_eval_at_0_bfunc_3_0_1 () const

double	site_eval_at_0_bfunc_3_0_2 () const

double	site_eval_at_0_bfunc_3_0_3 () const

double	delta_site_eval_at_0_bfunc_3_0_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_0_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_0_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_0_3 (int occ_i, int occ_f) const

double	eval_bfunc_3_1_0 () const

double	eval_bfunc_3_1_1 () const

double	eval_bfunc_3_1_2 () const

double	eval_bfunc_3_1_3 () const

double	eval_bfunc_3_1_4 () const

double	eval_bfunc_3_1_5 () const

double	site_eval_at_0_bfunc_3_1_0 () const

double	site_eval_at_0_bfunc_3_1_1 () const

double	site_eval_at_0_bfunc_3_1_2 () const

double	site_eval_at_0_bfunc_3_1_3 () const

double	site_eval_at_0_bfunc_3_1_4 () const

double	site_eval_at_0_bfunc_3_1_5 () const

double	delta_site_eval_at_0_bfunc_3_1_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_1_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_1_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_1_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_1_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_1_5 (int occ_i, int occ_f) const

double	eval_bfunc_3_2_0 () const

double	eval_bfunc_3_2_1 () const

double	eval_bfunc_3_2_2 () const

double	eval_bfunc_3_2_3 () const

double	eval_bfunc_3_2_4 () const

double	eval_bfunc_3_2_5 () const

double	site_eval_at_0_bfunc_3_2_0 () const

double	site_eval_at_0_bfunc_3_2_1 () const

double	site_eval_at_0_bfunc_3_2_2 () const

double	site_eval_at_0_bfunc_3_2_3 () const

double	site_eval_at_0_bfunc_3_2_4 () const

double	site_eval_at_0_bfunc_3_2_5 () const

double	delta_site_eval_at_0_bfunc_3_2_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_2_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_2_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_2_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_2_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_2_5 (int occ_i, int occ_f) const

double	eval_bfunc_3_3_0 () const

double	eval_bfunc_3_3_1 () const

double	eval_bfunc_3_3_2 () const

double	eval_bfunc_3_3_3 () const

double	eval_bfunc_3_3_4 () const

double	eval_bfunc_3_3_5 () const

double	eval_bfunc_3_3_6 () const

double	eval_bfunc_3_3_7 () const

double	site_eval_at_0_bfunc_3_3_0 () const

double	site_eval_at_0_bfunc_3_3_1 () const

double	site_eval_at_0_bfunc_3_3_2 () const

double	site_eval_at_0_bfunc_3_3_3 () const

double	site_eval_at_0_bfunc_3_3_4 () const

double	site_eval_at_0_bfunc_3_3_5 () const

double	site_eval_at_0_bfunc_3_3_6 () const

double	site_eval_at_0_bfunc_3_3_7 () const

double	delta_site_eval_at_0_bfunc_3_3_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_5 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_6 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_3_7 (int occ_i, int occ_f) const

double	eval_bfunc_3_4_0 () const

double	eval_bfunc_3_4_1 () const

double	eval_bfunc_3_4_2 () const

double	eval_bfunc_3_4_3 () const

double	eval_bfunc_3_4_4 () const

double	eval_bfunc_3_4_5 () const

double	eval_bfunc_3_4_6 () const

double	eval_bfunc_3_4_7 () const

double	site_eval_at_0_bfunc_3_4_0 () const

double	site_eval_at_0_bfunc_3_4_1 () const

double	site_eval_at_0_bfunc_3_4_2 () const

double	site_eval_at_0_bfunc_3_4_3 () const

double	site_eval_at_0_bfunc_3_4_4 () const

double	site_eval_at_0_bfunc_3_4_5 () const

double	site_eval_at_0_bfunc_3_4_6 () const

double	site_eval_at_0_bfunc_3_4_7 () const

double	delta_site_eval_at_0_bfunc_3_4_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_5 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_6 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_3_4_7 (int occ_i, int occ_f) const

double	eval_bfunc_4_0_0 () const

double	eval_bfunc_4_0_1 () const

double	eval_bfunc_4_0_2 () const

double	eval_bfunc_4_0_3 () const

double	eval_bfunc_4_0_4 () const

double	eval_bfunc_4_0_5 () const

double	eval_bfunc_4_0_6 () const

double	eval_bfunc_4_0_7 () const

double	eval_bfunc_4_0_8 () const

double	eval_bfunc_4_0_9 () const

double	eval_bfunc_4_0_10 () const

double	eval_bfunc_4_0_11 () const

double	site_eval_at_0_bfunc_4_0_0 () const

double	site_eval_at_0_bfunc_4_0_1 () const

double	site_eval_at_0_bfunc_4_0_2 () const

double	site_eval_at_0_bfunc_4_0_3 () const

double	site_eval_at_0_bfunc_4_0_4 () const

double	site_eval_at_0_bfunc_4_0_5 () const

double	site_eval_at_0_bfunc_4_0_6 () const

double	site_eval_at_0_bfunc_4_0_7 () const

double	site_eval_at_0_bfunc_4_0_8 () const

double	site_eval_at_0_bfunc_4_0_9 () const

double	site_eval_at_0_bfunc_4_0_10 () const

double	site_eval_at_0_bfunc_4_0_11 () const

double	delta_site_eval_at_0_bfunc_4_0_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_5 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_6 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_7 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_8 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_9 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_10 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_0_11 (int occ_i, int occ_f) const

double	eval_bfunc_4_1_0 () const

double	eval_bfunc_4_1_1 () const

double	eval_bfunc_4_1_2 () const

double	eval_bfunc_4_1_3 () const

double	eval_bfunc_4_1_4 () const

double	eval_bfunc_4_1_5 () const

double	eval_bfunc_4_1_6 () const

double	eval_bfunc_4_1_7 () const

double	eval_bfunc_4_1_8 () const

double	eval_bfunc_4_1_9 () const

double	site_eval_at_0_bfunc_4_1_0 () const

double	site_eval_at_0_bfunc_4_1_1 () const

double	site_eval_at_0_bfunc_4_1_2 () const

double	site_eval_at_0_bfunc_4_1_3 () const

double	site_eval_at_0_bfunc_4_1_4 () const

double	site_eval_at_0_bfunc_4_1_5 () const

double	site_eval_at_0_bfunc_4_1_6 () const

double	site_eval_at_0_bfunc_4_1_7 () const

double	site_eval_at_0_bfunc_4_1_8 () const

double	site_eval_at_0_bfunc_4_1_9 () const

double	delta_site_eval_at_0_bfunc_4_1_0 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_1 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_2 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_3 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_4 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_5 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_6 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_7 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_8 (int occ_i, int occ_f) const

double	delta_site_eval_at_0_bfunc_4_1_9 (int occ_i, int occ_f) const

Private Attributes
BasisFuncPtr	m_orbit_func_list [75]

BasisFuncPtr	m_flower_func_lists [1][75]

DeltaBasisFuncPtr	m_delta_func_lists [1][75]

double	m_occ_func_0_0 [3]

double	m_occ_func_0_1 [3]

Member Typedef Documentation

typedef double(FCC_ternary_Clexulator::* CASM::FCC_ternary_Clexulator::BasisFuncPtr)() const

private

Definition at line 69 of file FCC_ternary_Clexulator.cc.

typedef double(FCC_ternary_Clexulator::* CASM::FCC_ternary_Clexulator::DeltaBasisFuncPtr)(int, int) const

private

Definition at line 72 of file FCC_ternary_Clexulator.cc.

typedef unsigned int CASM::Clexulator_impl::Base::size_type

inherited

Definition at line 20 of file Clexulator.hh.

Constructor & Destructor Documentation

CASM::FCC_ternary_Clexulator::FCC_ternary_Clexulator ( )

Definition at line 367 of file FCC_ternary_Clexulator.cc.

CASM::FCC_ternary_Clexulator::~FCC_ternary_Clexulator ( )

Definition at line 1115 of file FCC_ternary_Clexulator.cc.

Member Function Documentation

virtual FCC_ternary_Clexulator* CASM::FCC_ternary_Clexulator::_clone ( ) const

inlineoverrideprivatevirtual

Clone the Clexulator.

Implements CASM::Clexulator_impl::Base.

Definition at line 64 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_delta_point_corr	(	int	b_index,
		int	occ_i,
		int	occ_f,
		double *	corr_begin
	)		const

overridevirtual

Calculate the change in point correlations due to changing an occupant.

Implements CASM::Clexulator_impl::Base.

Definition at line 1148 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_global_corr_contribution ( double * corr_begin ) const

overridevirtual

Calculate contribution to global correlations from one unit cell.

Implements CASM::Clexulator_impl::Base.

Definition at line 1120 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_point_corr	(	int	b_index,
		double *	corr_begin
	)		const

overridevirtual

Calculate point correlations about basis site 'b_index'.

Implements CASM::Clexulator_impl::Base.

Definition at line 1134 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_restricted_delta_point_corr	(	int	b_index,
		int	occ_i,
		int	occ_f,
		double *	corr_begin,
		size_type const *	ind_list_begin,
		size_type const *	ind_list_end
	)		const

overridevirtual

Calculate the change in select point correlations due to changing an occupant.

Implements CASM::Clexulator_impl::Base.

Definition at line 1155 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_restricted_global_corr_contribution	(	double *	corr_begin,
		size_type const *	ind_list_begin,
		size_type const *	ind_list_end
	)		const

overridevirtual

Calculate contribution to select global correlations from one unit cell.

Implements CASM::Clexulator_impl::Base.

Definition at line 1127 of file FCC_ternary_Clexulator.cc.

void CASM::FCC_ternary_Clexulator::calc_restricted_point_corr	(	int	b_index,
		double *	corr_begin,
		size_type const *	ind_list_begin,
		size_type const *	ind_list_end
	)		const

overridevirtual

Calculate select point correlations about basis site 'b_index'.

Implements CASM::Clexulator_impl::Base.

Definition at line 1141 of file FCC_ternary_Clexulator.cc.

std::unique_ptr<FCC_ternary_Clexulator> CASM::FCC_ternary_Clexulator::clone ( ) const

inline

Clone the FCC_ternary_Clexulator.

Definition at line 38 of file FCC_ternary_Clexulator.cc.

size_type CASM::Clexulator_impl::Base::corr_size ( ) const

inlineinherited

Number of correlations.

Definition at line 35 of file Clexulator.hh.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_1_0_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1185 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_1_0_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1188 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_0_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1218 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_0_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1221 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_0_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1224 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_1_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1254 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_1_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1257 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_1_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1260 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_2_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1290 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_2_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1293 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_2_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1296 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_3_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1326 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_3_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1329 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_3_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1332 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_4_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1362 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_4_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1365 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_4_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1368 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_5_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1398 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_5_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1401 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_2_5_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1404 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_0_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1441 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_0_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1444 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_0_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1447 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_0_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1450 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1499 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1502 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1505 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1508 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1511 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_1_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1514 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1563 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1566 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1569 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1572 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1575 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_2_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1578 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1639 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1642 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1645 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1648 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1651 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1654 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_6	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1657 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_3_7	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1660 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1721 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1724 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1727 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1730 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1733 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1736 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_6	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1739 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_3_4_7	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1742 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1828 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1831 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_10	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1858 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_11	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1861 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1834 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1837 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1840 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1843 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_6	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1846 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_7	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1849 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_8	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1852 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_0_9	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1855 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1935 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_1	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1938 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_2	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1941 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_3	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1944 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_4	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1947 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_5	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1950 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_6	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1953 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_7	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1956 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_8	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1959 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::delta_site_eval_at_0_bfunc_4_1_9	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1962 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_0_0_0 ( ) const

private

Definition at line 1162 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_1_0_0 ( ) const

private

Definition at line 1171 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_1_0_1 ( ) const

private

Definition at line 1174 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_0_0 ( ) const

private

Definition at line 1198 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_0_1 ( ) const

private

Definition at line 1201 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_0_2 ( ) const

private

Definition at line 1204 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_1_0 ( ) const

private

Definition at line 1234 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_1_1 ( ) const

private

Definition at line 1237 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_1_2 ( ) const

private

Definition at line 1240 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_2_0 ( ) const

private

Definition at line 1270 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_2_1 ( ) const

private

Definition at line 1273 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_2_2 ( ) const

private

Definition at line 1276 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_3_0 ( ) const

private

Definition at line 1306 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_3_1 ( ) const

private

Definition at line 1309 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_3_2 ( ) const

private

Definition at line 1312 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_4_0 ( ) const

private

Definition at line 1342 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_4_1 ( ) const

private

Definition at line 1345 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_4_2 ( ) const

private

Definition at line 1348 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_5_0 ( ) const

private

Definition at line 1378 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_5_1 ( ) const

private

Definition at line 1381 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_2_5_2 ( ) const

private

Definition at line 1384 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_0_0 ( ) const

private

Definition at line 1415 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_0_1 ( ) const

private

Definition at line 1418 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_0_2 ( ) const

private

Definition at line 1421 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_0_3 ( ) const

private

Definition at line 1424 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_0 ( ) const

private

Definition at line 1461 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_1 ( ) const

private

Definition at line 1464 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_2 ( ) const

private

Definition at line 1467 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_3 ( ) const

private

Definition at line 1470 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_4 ( ) const

private

Definition at line 1473 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_1_5 ( ) const

private

Definition at line 1476 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_0 ( ) const

private

Definition at line 1525 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_1 ( ) const

private

Definition at line 1528 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_2 ( ) const

private

Definition at line 1531 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_3 ( ) const

private

Definition at line 1534 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_4 ( ) const

private

Definition at line 1537 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_2_5 ( ) const

private

Definition at line 1540 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_0 ( ) const

private

Definition at line 1589 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_1 ( ) const

private

Definition at line 1592 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_2 ( ) const

private

Definition at line 1595 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_3 ( ) const

private

Definition at line 1598 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_4 ( ) const

private

Definition at line 1601 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_5 ( ) const

private

Definition at line 1604 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_6 ( ) const

private

Definition at line 1607 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_3_7 ( ) const

private

Definition at line 1610 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_0 ( ) const

private

Definition at line 1671 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_1 ( ) const

private

Definition at line 1674 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_2 ( ) const

private

Definition at line 1677 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_3 ( ) const

private

Definition at line 1680 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_4 ( ) const

private

Definition at line 1683 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_5 ( ) const

private

Definition at line 1686 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_6 ( ) const

private

Definition at line 1689 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_3_4_7 ( ) const

private

Definition at line 1692 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_0 ( ) const

private

Definition at line 1754 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_1 ( ) const

private

Definition at line 1757 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_10 ( ) const

private

Definition at line 1784 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_11 ( ) const

private

Definition at line 1787 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_2 ( ) const

private

Definition at line 1760 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_3 ( ) const

private

Definition at line 1763 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_4 ( ) const

private

Definition at line 1766 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_5 ( ) const

private

Definition at line 1769 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_6 ( ) const

private

Definition at line 1772 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_7 ( ) const

private

Definition at line 1775 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_8 ( ) const

private

Definition at line 1778 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_0_9 ( ) const

private

Definition at line 1781 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_0 ( ) const

private

Definition at line 1873 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_1 ( ) const

private

Definition at line 1876 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_2 ( ) const

private

Definition at line 1879 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_3 ( ) const

private

Definition at line 1882 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_4 ( ) const

private

Definition at line 1885 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_5 ( ) const

private

Definition at line 1888 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_6 ( ) const

private

Definition at line 1891 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_7 ( ) const

private

Definition at line 1894 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_8 ( ) const

private

Definition at line 1897 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::eval_bfunc_4_1_9 ( ) const

private

Definition at line 1900 of file FCC_ternary_Clexulator.cc.

const std::set<UnitCellCoord>& CASM::Clexulator_impl::Base::neighborhood ( ) const

inlineinherited

The UnitCellCoord involved in calculating the basis functions, relative origin UnitCell.

Definition at line 46 of file Clexulator.hh.

const std::set<UnitCellCoord>& CASM::Clexulator_impl::Base::neighborhood ( size_type linear_orbit_index ) const

inlineinherited

The UnitCellCoord involved in calculating the basis functions for a particular orbit, relative origin UnitCell.

Definition at line 52 of file Clexulator.hh.

size_type CASM::Clexulator_impl::Base::nlist_size ( ) const

inlineinherited

Neighbor list size.

Definition at line 30 of file Clexulator.hh.

const double& CASM::FCC_ternary_Clexulator::occ_func_0_0 ( const int & nlist_ind ) const

inlineprivate

Definition at line 89 of file FCC_ternary_Clexulator.cc.

const double& CASM::FCC_ternary_Clexulator::occ_func_0_1 ( const int & nlist_ind ) const

inlineprivate

Definition at line 90 of file FCC_ternary_Clexulator.cc.

void CASM::Clexulator_impl::Base::set_config_occ ( const int * _occ_ptr )

inlineinherited

Set pointer to data structure containing occupation variables.

Parameters

_occ_ptr Pointer to beginning of data structure containing occupation variables

Call using:

myclexulator.set_config_occ(my_configdof.occupation().begin());

Definition at line 70 of file Clexulator.hh.

void CASM::Clexulator_impl::Base::set_nlist ( const long int * _nlist_ptr )

inlineinherited

Set pointer to neighbor list.

Call using:

UnitCellCoord bijk(b,i,j,k);           // UnitCellCoord of site in Configuration
int l_index = my_supercell.find(bijk); // Linear index of site in Configuration
myclexulator.set_nlist(my_supercell.get_nlist(l_index).begin());

Definition at line 83 of file Clexulator.hh.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_1_0_0 ( ) const

private

Definition at line 1178 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_1_0_1 ( ) const

private

Definition at line 1181 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_0_0 ( ) const

private

Definition at line 1208 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_0_1 ( ) const

private

Definition at line 1211 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_0_2 ( ) const

private

Definition at line 1214 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_1_0 ( ) const

private

Definition at line 1244 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_1_1 ( ) const

private

Definition at line 1247 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_1_2 ( ) const

private

Definition at line 1250 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_2_0 ( ) const

private

Definition at line 1280 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_2_1 ( ) const

private

Definition at line 1283 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_2_2 ( ) const

private

Definition at line 1286 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_3_0 ( ) const

private

Definition at line 1316 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_3_1 ( ) const

private

Definition at line 1319 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_3_2 ( ) const

private

Definition at line 1322 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_4_0 ( ) const

private

Definition at line 1352 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_4_1 ( ) const

private

Definition at line 1355 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_4_2 ( ) const

private

Definition at line 1358 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_5_0 ( ) const

private

Definition at line 1388 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_5_1 ( ) const

private

Definition at line 1391 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_2_5_2 ( ) const

private

Definition at line 1394 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_0_0 ( ) const

private

Definition at line 1428 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_0_1 ( ) const

private

Definition at line 1431 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_0_2 ( ) const

private

Definition at line 1434 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_0_3 ( ) const

private

Definition at line 1437 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_0 ( ) const

private

Definition at line 1480 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_1 ( ) const

private

Definition at line 1483 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_2 ( ) const

private

Definition at line 1486 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_3 ( ) const

private

Definition at line 1489 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_4 ( ) const

private

Definition at line 1492 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_1_5 ( ) const

private

Definition at line 1495 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_0 ( ) const

private

Definition at line 1544 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_1 ( ) const

private

Definition at line 1547 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_2 ( ) const

private

Definition at line 1550 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_3 ( ) const

private

Definition at line 1553 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_4 ( ) const

private

Definition at line 1556 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_2_5 ( ) const

private

Definition at line 1559 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_0 ( ) const

private

Definition at line 1614 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_1 ( ) const

private

Definition at line 1617 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_2 ( ) const

private

Definition at line 1620 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_3 ( ) const

private

Definition at line 1623 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_4 ( ) const

private

Definition at line 1626 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_5 ( ) const

private

Definition at line 1629 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_6 ( ) const

private

Definition at line 1632 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_3_7 ( ) const

private

Definition at line 1635 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_0 ( ) const

private

Definition at line 1696 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_1 ( ) const

private

Definition at line 1699 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_2 ( ) const

private

Definition at line 1702 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_3 ( ) const

private

Definition at line 1705 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_4 ( ) const

private

Definition at line 1708 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_5 ( ) const

private

Definition at line 1711 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_6 ( ) const

private

Definition at line 1714 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_3_4_7 ( ) const

private

Definition at line 1717 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_0 ( ) const

private

Definition at line 1791 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_1 ( ) const

private

Definition at line 1794 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_10 ( ) const

private

Definition at line 1821 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_11 ( ) const

private

Definition at line 1824 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_2 ( ) const

private

Definition at line 1797 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_3 ( ) const

private

Definition at line 1800 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_4 ( ) const

private

Definition at line 1803 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_5 ( ) const

private

Definition at line 1806 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_6 ( ) const

private

Definition at line 1809 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_7 ( ) const

private

Definition at line 1812 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_8 ( ) const

private

Definition at line 1815 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_0_9 ( ) const

private

Definition at line 1818 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_0 ( ) const

private

Definition at line 1904 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_1 ( ) const

private

Definition at line 1907 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_2 ( ) const

private

Definition at line 1910 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_3 ( ) const

private

Definition at line 1913 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_4 ( ) const

private

Definition at line 1916 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_5 ( ) const

private

Definition at line 1919 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_6 ( ) const

private

Definition at line 1922 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_7 ( ) const

private

Definition at line 1925 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_8 ( ) const

private

Definition at line 1928 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::site_eval_at_0_bfunc_4_1_9 ( ) const

private

Definition at line 1931 of file FCC_ternary_Clexulator.cc.

const PrimNeighborList::Matrix3Type& CASM::Clexulator_impl::Base::weight_matrix ( ) const

inlineinherited

The weight matrix used for ordering the neighbor list.

Definition at line 57 of file Clexulator.hh.

double CASM::FCC_ternary_Clexulator::zero_func ( ) const

inlineprivate

Definition at line 93 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::zero_func	(	int	,
		int
	)		const

inlineprivate

Definition at line 94 of file FCC_ternary_Clexulator.cc.

Member Data Documentation

DeltaBasisFuncPtr CASM::FCC_ternary_Clexulator::m_delta_func_lists[1][75]

private

Definition at line 81 of file FCC_ternary_Clexulator.cc.

BasisFuncPtr CASM::FCC_ternary_Clexulator::m_flower_func_lists[1][75]

private

Definition at line 78 of file FCC_ternary_Clexulator.cc.

std::set<UnitCellCoord> CASM::Clexulator_impl::Base::m_neighborhood

protectedinherited

The UnitCellCoord involved in calculating the basis functions, relative origin UnitCell.

Definition at line 220 of file Clexulator.hh.

const long int* CASM::Clexulator_impl::Base::m_nlist_ptr

protectedinherited

Pointer to neighbor list.

Definition at line 216 of file Clexulator.hh.

double CASM::FCC_ternary_Clexulator::m_occ_func_0_0[3]

private

Definition at line 85 of file FCC_ternary_Clexulator.cc.

double CASM::FCC_ternary_Clexulator::m_occ_func_0_1[3]

private

Definition at line 86 of file FCC_ternary_Clexulator.cc.

const int* CASM::Clexulator_impl::Base::m_occ_ptr

protectedinherited

Pointer to beginning of data structure containing occupation variables.

Definition at line 213 of file Clexulator.hh.

BasisFuncPtr CASM::FCC_ternary_Clexulator::m_orbit_func_list[75]

private

Definition at line 75 of file FCC_ternary_Clexulator.cc.

std::vector<std::set<UnitCellCoord> > CASM::Clexulator_impl::Base::m_orbit_neighborhood

protectedinherited

The UnitCellCoord involved in calculating the basis functions for a particular orbit, relative origin UnitCell.

Definition at line 224 of file Clexulator.hh.

PrimNeighborList::Matrix3Type CASM::Clexulator_impl::Base::m_weight_matrix

protectedinherited

The weight matrix used for ordering the neighbor list.

Definition at line 227 of file Clexulator.hh.

The documentation for this class was generated from the following file:

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/tests/unit/test_projects/FCC_ternary.9/basis_sets/bset.default/FCC_ternary_Clexulator.cc

Detailed Description

Public Types

Public Member Functions

Protected Attributes

Private Types

Private Member Functions

Private Attributes

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation