An Epetra operator that evaluates the Jacobian of a QCAD coupled Poisson-Schrodinger problem. More...

#include <QCAD_CoupledPSJacobian.hpp>

Public Member Functions
	CoupledPSJacobian (int nEigenvals, const Teuchos::RCP< const Epetra_Map > &discMap, const Teuchos::RCP< const Epetra_Map > &fullPSMap, const Teuchos::RCP< const Epetra_Comm > &comm, int dim, int valleyDegen, double temp, double lengthUnitInMeters, double energyUnitInElectronVolts, double effMass, double conductionBandOffset)
	~CoupledPSJacobian ()
void	initialize (const Teuchos::RCP< Epetra_CrsMatrix > &poissonJac, const Teuchos::RCP< Epetra_CrsMatrix > &schrodingerJac, const Teuchos::RCP< Epetra_CrsMatrix > &massMatrix, const Teuchos::RCP< Epetra_Vector > &eigenvals, const Teuchos::RCP< const Epetra_MultiVector > &eigenvecs)
	Initialize the operator with everything needed to apply it.
virtual int	SetUseTranspose (bool UseTranspose)
	If set true, transpose of this operator will be applied.
virtual int	Apply (const Epetra_MultiVector &X, Epetra_MultiVector &Y) const
	Returns the result of a Epetra_Operator applied to a Epetra_MultiVector X in Y.
virtual int	ApplyInverse (const Epetra_MultiVector &X, Epetra_MultiVector &Y) const
	Returns the result of a Epetra_Operator inverse applied to an Epetra_MultiVector X in Y.
virtual double	NormInf () const
	Returns the infinity norm of the global matrix.
virtual const char *	Label () const
	Returns a character string describing the operator.
virtual bool	UseTranspose () const
	Returns the current UseTranspose setting.
virtual bool	HasNormInf () const
	Returns true if this object can provide an approximate Inf-norm, false otherwise.
virtual const Epetra_Comm &	Comm () const
	Returns a pointer to the Epetra_Comm communicator associated with this operator.
virtual const Epetra_Map &	OperatorDomainMap () const
	Returns the Epetra_Map object associated with the domain of this operator.
virtual const Epetra_Map &	OperatorRangeMap () const
	Returns the Epetra_Map object associated with the range of this operator.
Private Attributes
Teuchos::RCP< const Epetra_Map >	discMap
Teuchos::RCP< const Epetra_Map >	dist_evalMap
Teuchos::RCP< const Epetra_Map >	local_evalMap
Teuchos::RCP< const Epetra_Map >	domainMap
Teuchos::RCP< const Epetra_Map >	rangeMap
Teuchos::RCP< const Epetra_Comm >	myComm
Teuchos::RCP< const Epetra_Import >	eval_importer
bool	bUseTranspose
bool	bInitialized
Teuchos::RCP< Epetra_CrsMatrix >	poissonJacobian
Teuchos::RCP< Epetra_CrsMatrix >	schrodingerJacobian
Teuchos::RCP< Epetra_CrsMatrix >	massMatrix
Teuchos::RCP< Epetra_Vector >	neg_eigenvalues
Teuchos::RCP< const Epetra_MultiVector >	psiVectors
Teuchos::RCP< Epetra_MultiVector >	dn_dPsi
Teuchos::RCP< Epetra_MultiVector >	dn_dEval
Teuchos::RCP< Epetra_MultiVector >	M_Psi
Teuchos::RCP< Epetra_MultiVector >	MT_Psi
Teuchos::RCP< Epetra_Vector >	x_neg_evals_local
int	numDims
int	valleyDegenFactor
double	temperature
double	length_unit_in_m
double	energy_unit_in_eV
double	effmass
double	offset_to_CB

Detailed Description

An Epetra operator that evaluates the Jacobian of a QCAD coupled Poisson-Schrodinger problem.

Definition at line 27 of file QCAD_CoupledPSJacobian.hpp.

Constructor & Destructor Documentation

QCAD::CoupledPSJacobian::CoupledPSJacobian	(	int	nEigenvals,
		const Teuchos::RCP< const Epetra_Map > &	discMap,
		const Teuchos::RCP< const Epetra_Map > &	fullPSMap,
		const Teuchos::RCP< const Epetra_Comm > &	comm,
		int	dim,
		int	valleyDegen,
		double	temp,
		double	lengthUnitInMeters,
		double	energyUnitInElectronVolts,
		double	effMass,
		double	conductionBandOffset
	)

Definition at line 21 of file QCAD_CoupledPSJacobian.cpp.

QCAD::CoupledPSJacobian::~CoupledPSJacobian ( )

Definition at line 44 of file QCAD_CoupledPSJacobian.cpp.

Member Function Documentation

void QCAD::CoupledPSJacobian::initialize	(	const Teuchos::RCP< Epetra_CrsMatrix > &	poissonJac,
		const Teuchos::RCP< Epetra_CrsMatrix > &	schrodingerJac,
		const Teuchos::RCP< Epetra_CrsMatrix > &	massMatrix,
		const Teuchos::RCP< Epetra_Vector > &	eigenvals,
		const Teuchos::RCP< const Epetra_MultiVector > &	eigenvecs
	)

Initialize the operator with everything needed to apply it.

Definition at line 50 of file QCAD_CoupledPSJacobian.cpp.

virtual int QCAD::CoupledPSJacobian::SetUseTranspose ( bool UseTranspose ) [inline, virtual]

If set true, transpose of this operator will be applied.

Definition at line 44 of file QCAD_CoupledPSJacobian.hpp.

int QCAD::CoupledPSJacobian::Apply	(	const Epetra_MultiVector &	X,
		Epetra_MultiVector &	Y
	)			const `[virtual]`

Returns the result of a Epetra_Operator applied to a Epetra_MultiVector X in Y.

Definition at line 115 of file QCAD_CoupledPSJacobian.cpp.

int QCAD::CoupledPSJacobian::ApplyInverse	(	const Epetra_MultiVector &	X,
		Epetra_MultiVector &	Y
	)			const `[virtual]`

Returns the result of a Epetra_Operator inverse applied to an Epetra_MultiVector X in Y.

Definition at line 227 of file QCAD_CoupledPSJacobian.cpp.

virtual double QCAD::CoupledPSJacobian::NormInf ( ) const [inline, virtual]

Returns the infinity norm of the global matrix.

Definition at line 53 of file QCAD_CoupledPSJacobian.hpp.

virtual const char* QCAD::CoupledPSJacobian::Label ( ) const [inline, virtual]

Returns a character string describing the operator.

Definition at line 56 of file QCAD_CoupledPSJacobian.hpp.

virtual bool QCAD::CoupledPSJacobian::UseTranspose ( ) const [inline, virtual]

Returns the current UseTranspose setting.

Definition at line 59 of file QCAD_CoupledPSJacobian.hpp.

virtual bool QCAD::CoupledPSJacobian::HasNormInf ( ) const [inline, virtual]

Returns true if this object can provide an approximate Inf-norm, false otherwise.

Definition at line 62 of file QCAD_CoupledPSJacobian.hpp.

virtual const Epetra_Comm& QCAD::CoupledPSJacobian::Comm ( ) const [inline, virtual]

Returns a pointer to the Epetra_Comm communicator associated with this operator.

Definition at line 65 of file QCAD_CoupledPSJacobian.hpp.

virtual const Epetra_Map& QCAD::CoupledPSJacobian::OperatorDomainMap ( ) const [inline, virtual]

Returns the Epetra_Map object associated with the domain of this operator.

Definition at line 68 of file QCAD_CoupledPSJacobian.hpp.

virtual const Epetra_Map& QCAD::CoupledPSJacobian::OperatorRangeMap ( ) const [inline, virtual]

Returns the Epetra_Map object associated with the range of this operator.

Definition at line 71 of file QCAD_CoupledPSJacobian.hpp.

Member Data Documentation

Teuchos::RCP<const Epetra_Map> QCAD::CoupledPSJacobian::discMap [private]

Definition at line 75 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Map> QCAD::CoupledPSJacobian::dist_evalMap [private]

Definition at line 76 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Map> QCAD::CoupledPSJacobian::local_evalMap [private]

Definition at line 76 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Map> QCAD::CoupledPSJacobian::domainMap [private]

Definition at line 77 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Map> QCAD::CoupledPSJacobian::rangeMap [private]

Definition at line 77 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Comm> QCAD::CoupledPSJacobian::myComm [private]

Definition at line 78 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_Import> QCAD::CoupledPSJacobian::eval_importer [private]

Definition at line 79 of file QCAD_CoupledPSJacobian.hpp.

bool QCAD::CoupledPSJacobian::bUseTranspose [private]

Definition at line 80 of file QCAD_CoupledPSJacobian.hpp.

bool QCAD::CoupledPSJacobian::bInitialized [private]

Definition at line 81 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_CrsMatrix> QCAD::CoupledPSJacobian::poissonJacobian [private]

Definition at line 83 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_CrsMatrix> QCAD::CoupledPSJacobian::schrodingerJacobian [private]

Definition at line 83 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_CrsMatrix> QCAD::CoupledPSJacobian::massMatrix [private]

Definition at line 84 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_Vector> QCAD::CoupledPSJacobian::neg_eigenvalues [private]

Definition at line 85 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<const Epetra_MultiVector> QCAD::CoupledPSJacobian::psiVectors [private]

Definition at line 86 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_MultiVector> QCAD::CoupledPSJacobian::dn_dPsi [private]

Definition at line 89 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_MultiVector> QCAD::CoupledPSJacobian::dn_dEval [private]

Definition at line 89 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_MultiVector> QCAD::CoupledPSJacobian::M_Psi [private]

Definition at line 90 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_MultiVector> QCAD::CoupledPSJacobian::MT_Psi [private]

Definition at line 90 of file QCAD_CoupledPSJacobian.hpp.

Teuchos::RCP<Epetra_Vector> QCAD::CoupledPSJacobian::x_neg_evals_local [private]

Definition at line 91 of file QCAD_CoupledPSJacobian.hpp.

int QCAD::CoupledPSJacobian::numDims [private]

Definition at line 94 of file QCAD_CoupledPSJacobian.hpp.

int QCAD::CoupledPSJacobian::valleyDegenFactor [private]

Definition at line 95 of file QCAD_CoupledPSJacobian.hpp.

double QCAD::CoupledPSJacobian::temperature [private]

Definition at line 96 of file QCAD_CoupledPSJacobian.hpp.

double QCAD::CoupledPSJacobian::length_unit_in_m [private]

Definition at line 97 of file QCAD_CoupledPSJacobian.hpp.

double QCAD::CoupledPSJacobian::energy_unit_in_eV [private]

Definition at line 98 of file QCAD_CoupledPSJacobian.hpp.

double QCAD::CoupledPSJacobian::effmass [private]

Definition at line 99 of file QCAD_CoupledPSJacobian.hpp.

double QCAD::CoupledPSJacobian::offset_to_CB [private]

Definition at line 101 of file QCAD_CoupledPSJacobian.hpp.

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

QCAD::CoupledPSJacobian Class Reference

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation