Public Member Functions
	TestPerturbation (Everything &e, PerturbationSolver &ps)

void	setup (std::vector< ColumnBundle > &Y)

void	setState (std::vector< ColumnBundle > &C)

void	setAtpos1 ()

void	setAtpos2 ()

void	setdsqpos0 ()

void	setdsqposnn ()

void	setdsqposnp ()

void	setdsqpospn ()

void	setdsqpospp ()

void	testVPT ()

bool	compareHamiltonians ()

bool	testGradientIsZero ()

bool	FDTest_dVxc ()

bool	FDTest_dn ()

bool	FDTest_dVscloc ()

bool	FDTest_dnatom ()

bool	FDTest_dVsclocatom ()

bool	FDTest_dVlocpsatom ()

bool	FDTest_dgradpsi ()

bool	FDTest_Hamiltonian ()

bool	FDTest_Hamiltoniandatom ()

bool	FDTest_Overlapatom ()

bool	FDTest_dV ()

bool	FDTest_dC ()

bool	FDTest_dCatom ()

bool	FDTest_dgradtau ()

bool	FDTest_dgradtauatom ()

bool	FDTest_dsqV ()

bool	FDTest_dsqEnl ()

bool	FDTest_dsqEloc ()

bool	FDTest_dsqEH ()

bool	FDTest_dsqExc ()

bool	FDTest_dsqExccore ()

Public Attributes
Everything &	e

ElecVars &	eVars

ElecInfo &	eInfo

PerturbationInfo &	pInfo

PerturbationSolver &	ps

SpringConstant	spring

std::vector< ColumnBundle >	Cmin

std::vector< ColumnBundle >	Y1

std::vector< ColumnBundle >	Y2

std::vector< ColumnBundle >	dY

std::vector< ColumnBundle >	C1

std::vector< ColumnBundle >	C2

std::vector< ColumnBundle >	C2atom

std::vector< ColumnBundle >	dC

std::shared_ptr< AtomPerturbation >	mode

std::shared_ptr< AtomPerturbation >	modeA

std::shared_ptr< AtomPerturbation >	modeB

std::shared_ptr< VextPerturbation >	VextMode

vector3	pos1

vector3	pos2

double	h = 1e-7

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

Public Member Functions

Public Attributes