Inheritance diagram for CASM::test_Clexulator:

Detailed Description

Definition at line 29 of file test_Clexulator.cc.

Public Types
typedef unsigned int	size_type

Public Member Functions
	test_Clexulator ()

	~test_Clexulator ()

std::unique_ptr< test_Clexulator >	clone () const
	Clone the test_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(test_Clexulator::*	BasisFuncPtr )() const

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

Private Member Functions
virtual test_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(test_Clexulator::* CASM::test_Clexulator::BasisFuncPtr)() const

private

Definition at line 69 of file test_Clexulator.cc.

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

private

Definition at line 72 of file test_Clexulator.cc.

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

inherited

Definition at line 20 of file Clexulator.hh.

Constructor & Destructor Documentation

CASM::test_Clexulator::test_Clexulator ( )

Definition at line 375 of file test_Clexulator.cc.

CASM::test_Clexulator::~test_Clexulator ( )

Definition at line 1091 of file test_Clexulator.cc.

Member Function Documentation

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

inlineoverrideprivatevirtual

Clone the Clexulator.

Implements CASM::Clexulator_impl::Base.

Definition at line 64 of file test_Clexulator.cc.

void CASM::test_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 1124 of file test_Clexulator.cc.

void CASM::test_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 1096 of file test_Clexulator.cc.

void CASM::test_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 1110 of file test_Clexulator.cc.

void CASM::test_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 1131 of file test_Clexulator.cc.

void CASM::test_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 1103 of file test_Clexulator.cc.

void CASM::test_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 1117 of file test_Clexulator.cc.

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

inline

Clone the test_Clexulator.

Definition at line 38 of file test_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::test_Clexulator::delta_site_eval_at_0_bfunc_1_0_0	(	int	occ_i,
		int	occ_f
	)		const

private

Definition at line 1161 of file test_Clexulator.cc.

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

private

Definition at line 1164 of file test_Clexulator.cc.

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

private

Definition at line 1194 of file test_Clexulator.cc.

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

private

Definition at line 1197 of file test_Clexulator.cc.

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

private

Definition at line 1200 of file test_Clexulator.cc.

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

private

Definition at line 1230 of file test_Clexulator.cc.

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

private

Definition at line 1233 of file test_Clexulator.cc.

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

private

Definition at line 1236 of file test_Clexulator.cc.

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

private

Definition at line 1266 of file test_Clexulator.cc.

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

private

Definition at line 1269 of file test_Clexulator.cc.

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

private

Definition at line 1272 of file test_Clexulator.cc.

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

private

Definition at line 1302 of file test_Clexulator.cc.

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

private

Definition at line 1305 of file test_Clexulator.cc.

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

private

Definition at line 1308 of file test_Clexulator.cc.

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

private

Definition at line 1338 of file test_Clexulator.cc.

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

private

Definition at line 1341 of file test_Clexulator.cc.

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

private

Definition at line 1344 of file test_Clexulator.cc.

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

private

Definition at line 1374 of file test_Clexulator.cc.

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

private

Definition at line 1377 of file test_Clexulator.cc.

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

private

Definition at line 1380 of file test_Clexulator.cc.

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

private

Definition at line 1417 of file test_Clexulator.cc.

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

private

Definition at line 1420 of file test_Clexulator.cc.

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

private

Definition at line 1423 of file test_Clexulator.cc.

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

private

Definition at line 1426 of file test_Clexulator.cc.

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

private

Definition at line 1475 of file test_Clexulator.cc.

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

private

Definition at line 1478 of file test_Clexulator.cc.

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

private

Definition at line 1481 of file test_Clexulator.cc.

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

private

Definition at line 1484 of file test_Clexulator.cc.

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

private

Definition at line 1487 of file test_Clexulator.cc.

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

private

Definition at line 1490 of file test_Clexulator.cc.

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

private

Definition at line 1539 of file test_Clexulator.cc.

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

private

Definition at line 1542 of file test_Clexulator.cc.

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

private

Definition at line 1545 of file test_Clexulator.cc.

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

private

Definition at line 1548 of file test_Clexulator.cc.

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

private

Definition at line 1551 of file test_Clexulator.cc.

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

private

Definition at line 1554 of file test_Clexulator.cc.

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

private

Definition at line 1615 of file test_Clexulator.cc.

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

private

Definition at line 1618 of file test_Clexulator.cc.

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

private

Definition at line 1621 of file test_Clexulator.cc.

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

private

Definition at line 1624 of file test_Clexulator.cc.

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

private

Definition at line 1627 of file test_Clexulator.cc.

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

private

Definition at line 1630 of file test_Clexulator.cc.

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

private

Definition at line 1633 of file test_Clexulator.cc.

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

private

Definition at line 1636 of file test_Clexulator.cc.

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

private

Definition at line 1697 of file test_Clexulator.cc.

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

private

Definition at line 1700 of file test_Clexulator.cc.

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

private

Definition at line 1703 of file test_Clexulator.cc.

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

private

Definition at line 1706 of file test_Clexulator.cc.

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

private

Definition at line 1709 of file test_Clexulator.cc.

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

private

Definition at line 1712 of file test_Clexulator.cc.

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

private

Definition at line 1715 of file test_Clexulator.cc.

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

private

Definition at line 1718 of file test_Clexulator.cc.

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

private

Definition at line 1804 of file test_Clexulator.cc.

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

private

Definition at line 1807 of file test_Clexulator.cc.

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

private

Definition at line 1834 of file test_Clexulator.cc.

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

private

Definition at line 1837 of file test_Clexulator.cc.

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

private

Definition at line 1810 of file test_Clexulator.cc.

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

private

Definition at line 1813 of file test_Clexulator.cc.

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

private

Definition at line 1816 of file test_Clexulator.cc.

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

private

Definition at line 1819 of file test_Clexulator.cc.

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

private

Definition at line 1822 of file test_Clexulator.cc.

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

private

Definition at line 1825 of file test_Clexulator.cc.

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

private

Definition at line 1828 of file test_Clexulator.cc.

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

private

Definition at line 1831 of file test_Clexulator.cc.

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

private

Definition at line 1911 of file test_Clexulator.cc.

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

private

Definition at line 1914 of file test_Clexulator.cc.

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

private

Definition at line 1917 of file test_Clexulator.cc.

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

private

Definition at line 1920 of file test_Clexulator.cc.

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

private

Definition at line 1923 of file test_Clexulator.cc.

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

private

Definition at line 1926 of file test_Clexulator.cc.

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

private

Definition at line 1929 of file test_Clexulator.cc.

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

private

Definition at line 1932 of file test_Clexulator.cc.

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

private

Definition at line 1935 of file test_Clexulator.cc.

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

private

Definition at line 1938 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_0_0_0 ( ) const

private

Definition at line 1138 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_1_0_0 ( ) const

private

Definition at line 1147 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_1_0_1 ( ) const

private

Definition at line 1150 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_0_0 ( ) const

private

Definition at line 1174 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_0_1 ( ) const

private

Definition at line 1177 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_0_2 ( ) const

private

Definition at line 1180 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_1_0 ( ) const

private

Definition at line 1210 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_1_1 ( ) const

private

Definition at line 1213 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_1_2 ( ) const

private

Definition at line 1216 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_2_0 ( ) const

private

Definition at line 1246 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_2_1 ( ) const

private

Definition at line 1249 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_2_2 ( ) const

private

Definition at line 1252 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_3_0 ( ) const

private

Definition at line 1282 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_3_1 ( ) const

private

Definition at line 1285 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_3_2 ( ) const

private

Definition at line 1288 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_4_0 ( ) const

private

Definition at line 1318 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_4_1 ( ) const

private

Definition at line 1321 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_4_2 ( ) const

private

Definition at line 1324 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_5_0 ( ) const

private

Definition at line 1354 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_5_1 ( ) const

private

Definition at line 1357 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_2_5_2 ( ) const

private

Definition at line 1360 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_0_0 ( ) const

private

Definition at line 1391 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_0_1 ( ) const

private

Definition at line 1394 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_0_2 ( ) const

private

Definition at line 1397 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_0_3 ( ) const

private

Definition at line 1400 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_0 ( ) const

private

Definition at line 1437 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_1 ( ) const

private

Definition at line 1440 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_2 ( ) const

private

Definition at line 1443 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_3 ( ) const

private

Definition at line 1446 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_4 ( ) const

private

Definition at line 1449 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_1_5 ( ) const

private

Definition at line 1452 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_0 ( ) const

private

Definition at line 1501 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_1 ( ) const

private

Definition at line 1504 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_2 ( ) const

private

Definition at line 1507 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_3 ( ) const

private

Definition at line 1510 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_4 ( ) const

private

Definition at line 1513 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_2_5 ( ) const

private

Definition at line 1516 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_0 ( ) const

private

Definition at line 1565 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_1 ( ) const

private

Definition at line 1568 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_2 ( ) const

private

Definition at line 1571 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_3 ( ) const

private

Definition at line 1574 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_4 ( ) const

private

Definition at line 1577 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_5 ( ) const

private

Definition at line 1580 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_6 ( ) const

private

Definition at line 1583 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_3_7 ( ) const

private

Definition at line 1586 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_0 ( ) const

private

Definition at line 1647 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_1 ( ) const

private

Definition at line 1650 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_2 ( ) const

private

Definition at line 1653 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_3 ( ) const

private

Definition at line 1656 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_4 ( ) const

private

Definition at line 1659 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_5 ( ) const

private

Definition at line 1662 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_6 ( ) const

private

Definition at line 1665 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_3_4_7 ( ) const

private

Definition at line 1668 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_0 ( ) const

private

Definition at line 1730 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_1 ( ) const

private

Definition at line 1733 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_10 ( ) const

private

Definition at line 1760 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_11 ( ) const

private

Definition at line 1763 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_2 ( ) const

private

Definition at line 1736 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_3 ( ) const

private

Definition at line 1739 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_4 ( ) const

private

Definition at line 1742 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_5 ( ) const

private

Definition at line 1745 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_6 ( ) const

private

Definition at line 1748 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_7 ( ) const

private

Definition at line 1751 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_8 ( ) const

private

Definition at line 1754 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_0_9 ( ) const

private

Definition at line 1757 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_0 ( ) const

private

Definition at line 1849 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_1 ( ) const

private

Definition at line 1852 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_2 ( ) const

private

Definition at line 1855 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_3 ( ) const

private

Definition at line 1858 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_4 ( ) const

private

Definition at line 1861 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_5 ( ) const

private

Definition at line 1864 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_6 ( ) const

private

Definition at line 1867 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_7 ( ) const

private

Definition at line 1870 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_8 ( ) const

private

Definition at line 1873 of file test_Clexulator.cc.

double CASM::test_Clexulator::eval_bfunc_4_1_9 ( ) const

private

Definition at line 1876 of file test_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::test_Clexulator::occ_func_0_0 ( const int & nlist_ind ) const

inlineprivate

Definition at line 89 of file test_Clexulator.cc.

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

inlineprivate

Definition at line 92 of file test_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::test_Clexulator::site_eval_at_0_bfunc_1_0_0 ( ) const

private

Definition at line 1154 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_1_0_1 ( ) const

private

Definition at line 1157 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_0_0 ( ) const

private

Definition at line 1184 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_0_1 ( ) const

private

Definition at line 1187 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_0_2 ( ) const

private

Definition at line 1190 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_1_0 ( ) const

private

Definition at line 1220 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_1_1 ( ) const

private

Definition at line 1223 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_1_2 ( ) const

private

Definition at line 1226 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_2_0 ( ) const

private

Definition at line 1256 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_2_1 ( ) const

private

Definition at line 1259 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_2_2 ( ) const

private

Definition at line 1262 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_3_0 ( ) const

private

Definition at line 1292 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_3_1 ( ) const

private

Definition at line 1295 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_3_2 ( ) const

private

Definition at line 1298 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_4_0 ( ) const

private

Definition at line 1328 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_4_1 ( ) const

private

Definition at line 1331 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_4_2 ( ) const

private

Definition at line 1334 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_5_0 ( ) const

private

Definition at line 1364 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_5_1 ( ) const

private

Definition at line 1367 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_2_5_2 ( ) const

private

Definition at line 1370 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_0_0 ( ) const

private

Definition at line 1404 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_0_1 ( ) const

private

Definition at line 1407 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_0_2 ( ) const

private

Definition at line 1410 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_0_3 ( ) const

private

Definition at line 1413 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_0 ( ) const

private

Definition at line 1456 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_1 ( ) const

private

Definition at line 1459 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_2 ( ) const

private

Definition at line 1462 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_3 ( ) const

private

Definition at line 1465 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_4 ( ) const

private

Definition at line 1468 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_1_5 ( ) const

private

Definition at line 1471 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_0 ( ) const

private

Definition at line 1520 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_1 ( ) const

private

Definition at line 1523 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_2 ( ) const

private

Definition at line 1526 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_3 ( ) const

private

Definition at line 1529 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_4 ( ) const

private

Definition at line 1532 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_2_5 ( ) const

private

Definition at line 1535 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_0 ( ) const

private

Definition at line 1590 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_1 ( ) const

private

Definition at line 1593 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_2 ( ) const

private

Definition at line 1596 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_3 ( ) const

private

Definition at line 1599 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_4 ( ) const

private

Definition at line 1602 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_5 ( ) const

private

Definition at line 1605 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_6 ( ) const

private

Definition at line 1608 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_3_7 ( ) const

private

Definition at line 1611 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_0 ( ) const

private

Definition at line 1672 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_1 ( ) const

private

Definition at line 1675 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_2 ( ) const

private

Definition at line 1678 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_3 ( ) const

private

Definition at line 1681 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_4 ( ) const

private

Definition at line 1684 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_5 ( ) const

private

Definition at line 1687 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_6 ( ) const

private

Definition at line 1690 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_3_4_7 ( ) const

private

Definition at line 1693 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_0 ( ) const

private

Definition at line 1767 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_1 ( ) const

private

Definition at line 1770 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_10 ( ) const

private

Definition at line 1797 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_11 ( ) const

private

Definition at line 1800 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_2 ( ) const

private

Definition at line 1773 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_3 ( ) const

private

Definition at line 1776 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_4 ( ) const

private

Definition at line 1779 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_5 ( ) const

private

Definition at line 1782 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_6 ( ) const

private

Definition at line 1785 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_7 ( ) const

private

Definition at line 1788 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_8 ( ) const

private

Definition at line 1791 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_0_9 ( ) const

private

Definition at line 1794 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_0 ( ) const

private

Definition at line 1880 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_1 ( ) const

private

Definition at line 1883 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_2 ( ) const

private

Definition at line 1886 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_3 ( ) const

private

Definition at line 1889 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_4 ( ) const

private

Definition at line 1892 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_5 ( ) const

private

Definition at line 1895 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_6 ( ) const

private

Definition at line 1898 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_7 ( ) const

private

Definition at line 1901 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_8 ( ) const

private

Definition at line 1904 of file test_Clexulator.cc.

double CASM::test_Clexulator::site_eval_at_0_bfunc_4_1_9 ( ) const

private

Definition at line 1907 of file test_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::test_Clexulator::zero_func ( ) const

inlineprivate

Definition at line 97 of file test_Clexulator.cc.

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

inlineprivate

Definition at line 100 of file test_Clexulator.cc.

Member Data Documentation

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

private

Definition at line 81 of file test_Clexulator.cc.

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

private

Definition at line 78 of file test_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::test_Clexulator::m_occ_func_0_0[3]

private

Definition at line 85 of file test_Clexulator.cc.

double CASM::test_Clexulator::m_occ_func_0_1[3]

private

Definition at line 86 of file test_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::test_Clexulator::m_orbit_func_list[75]

private

Definition at line 75 of file test_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/clex/test_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