QCAD Namespace Reference

Provides general-purpose template-specialized functions for use in other evaluator classes. More...

Classes
class	EvaluatorTools< PHAL::AlbanyTraits::Residual, Traits >
	Specializations. More...
class	EvaluatorTools< PHAL::AlbanyTraits::Jacobian, Traits >
class	EvaluatorTools< PHAL::AlbanyTraits::Tangent, Traits >
class	MeshRegion
	A utility class that encapsulates a defined region of a mesh. More...
class	ResponseCenterOfMass
	Response Description. More...
class	ResponseFieldAverage
	Response Description. More...
class	ResponseFieldIntegral
	Response Description. More...
class	FieldValueScatterScalarResponse
class	FieldValueScatterScalarResponse< PHAL::AlbanyTraits::Jacobian, Traits >
class	ResponseFieldValue
	Response Description. More...
class	ResponseSaveField
	Response Description. More...
class	MaterialDatabase
	Centralized collection of material parameters. More...
class	Permittivity
	Evaluates thermal conductivity, either as a constant or a truncated KL expansion. More...
class	PoissonDirichlet
	Dirichlet Evaluator for QCAD Poisson Problem. More...
class	PoissonNeumann
	Neumann Evaluator for QCAD Poisson Problem. More...
class	PoissonResid
	Finite Element Interpolation Evaluator. More...
class	PoissonSource
	Evaluates Poisson Source Term. More...
class	ResponseRegionBoundary
	QCAD Response which computes regions within the mesh based on field values, usually to determing sub-regions of the mesh for later processing (e.g. More...
class	ResponseSaddleValue
class	SchrodingerDirichletBase
	Similar to PHAL::Dirichlet, but in Jacobian specialization zeros out the column as well as the row corresponding to a DBC to preserve the symmetry of the Schrodinger problem's Hamiltonian (its jacobian). More...
class	SchrodingerDirichlet< PHAL::AlbanyTraits::Residual, Traits >
class	SchrodingerDirichlet< PHAL::AlbanyTraits::Jacobian, Traits >
class	SchrodingerDirichlet< PHAL::AlbanyTraits::Tangent, Traits >
class	SchrodingerDirichletAggregator
class	SchrodingerPotential
	Evaluates Poisson Source Term. More...
class	SchrodingerResid
class	PoissonProblem
	Abstract interface for representing a 1-D finite element problem. More...
class	SchrodingerProblem
	Abstract interface for representing a 1-D finite element problem. More...
class	CoupledPoissonSchrodinger
	Epetra-based Model Evaluator for QCAD coupled poisson-schrodinger solver. More...
class	CoupledPSJacobian
	An Epetra operator that evaluates the Jacobian of a QCAD coupled Poisson-Schrodinger problem. More...
class	CoupledPS_NOXObserver
	Coupled Poisson-Schrodinger observer. More...
class	CoupledPS_NOXObserverFactory
	Coupled Poisson-Schrodinger observer factory (creates observer). More...
class	CoupledPS_NOXObserverConstructor
	Coupled Poisson-Schrodinger observer constructor (wrapper around factory). More...
class	CoupledPSPreconditioner
	An Epetra operator that evaluates the Jacobian of a QCAD coupled Poisson-Schrodinger problem. More...
class	GenEigensolver
	Epetra-based Model Evaluator for QCAD Generalized Eigensolver. More...
class	MultiSolution_Observer
	Multi-solution observer: allows output to exodus in which the fields from multiple. More...
class	Solver
	Epetra-based Model Evaluator for QCAD solver. More...
class	SolverParamFn
class	SolverResponseFn
class	SolverSubSolver
class	SolverSubSolverData
class	GreensFunctionTunnelingSolver
class	mathVector
struct	nebImagePt
struct	maxDimPt
class	SaddleValueResponseFunction
	Reponse function for finding saddle point values of a field. More...
Functions
std::string	strdim (const std::string s, const int dim)
void	CopyAllStates (Albany::StateArrays &src, Albany::StateArrays &dest, const Teuchos::RCP< const Albany::StateInfoStruct > &stateInfo)
void	separateCombinedVector (Teuchos::RCP< const Epetra_Map > disc_map, int numCopiesOfDiscMap, int numAdditionalElements, const Teuchos::RCP< const Epetra_Comm > &comm, const Teuchos::RCP< Epetra_Vector > &combinedVector, Teuchos::RCP< Epetra_MultiVector > &disc_parts, Teuchos::RCP< Epetra_Vector > &additional_part)
Teuchos::RCP< Epetra_Map >	CreateCombinedMap (Teuchos::RCP< const Epetra_Map > disc_map, int numCopiesOfDiscMap, int numAdditionalElements, const Teuchos::RCP< const Epetra_Comm > &comm)
void	SolveModel (const SolverSubSolver &ss)
void	SolveModel (const SolverSubSolver &ss, Albany::StateArrays *&pInitialStates, Albany::StateArrays *&pFinalStates)
void	SolveModel (const QCAD::SolverSubSolver &ss, Teuchos::RCP< Albany::EigendataStruct > &pInitialEData, Teuchos::RCP< Albany::EigendataStruct > &pFinalEData)
void	SolveModel (const SolverSubSolver &ss, Albany::StateArrays *&pInitialStates, Albany::StateArrays *&pFinalStates, Teuchos::RCP< Albany::EigendataStruct > &pInitialEData, Teuchos::RCP< Albany::EigendataStruct > &pFinalEData)
void	CopyStateToContainer (Albany::StateArrays &src, std::string stateNameToCopy, std::vector< Intrepid::FieldContainer< RealType > > &dest)
void	CopyContainerToState (std::vector< Intrepid::FieldContainer< RealType > > &src, Albany::StateArrays &dest, std::string stateNameOfCopy)
void	CopyContainer (std::vector< Intrepid::FieldContainer< RealType > > &src, std::vector< Intrepid::FieldContainer< RealType > > &dest)
void	AddContainerToContainer (std::vector< Intrepid::FieldContainer< RealType > > &src, std::vector< Intrepid::FieldContainer< RealType > > &dest, double srcFactor, double thisFactor)
void	AddContainerToState (std::vector< Intrepid::FieldContainer< RealType > > &src, Albany::StateArrays &dest, std::string stateName, double srcFactor, double thisFactor)
void	CopyState (Albany::StateArrays &src, Albany::StateArrays &dest, std::string stateNameToCopy)
void	AddStateToState (Albany::StateArrays &src, std::string srcStateNameToAdd, Albany::StateArrays &dest, std::string destStateNameToAddTo)
void	SubtractStateFromState (Albany::StateArrays &src, std::string srcStateNameToSubtract, Albany::StateArrays &dest, std::string destStateNameToSubtractFrom)
double	getMaxDifference (Albany::StateArrays &states, std::vector< Intrepid::FieldContainer< RealType > > &prevState, std::string stateName)
double	getNorm2Difference (Albany::StateArrays &states, std::vector< Intrepid::FieldContainer< RealType > > &prevState, std::string stateName)
double	getNorm2 (std::vector< Intrepid::FieldContainer< RealType > > &container, const Teuchos::RCP< const Epetra_Comm > &comm)
int	getElementCount (std::vector< Intrepid::FieldContainer< RealType > > &container)
void	ResetEigensolverShift (const Teuchos::RCP< EpetraExt::ModelEvaluator > &Solver, double newShift, Teuchos::RCP< Teuchos::ParameterList > &eigList)
double	GetEigensolverShift (const SolverSubSolver &ss, double pcBelowMinPotential)
void	SetPreviousDensityMixing (const Teuchos::RCP< EpetraExt::ModelEvaluator::InArgs > inArgs, double mixingFactor)
std::vector< std::string >	string_split (const std::string &s, char delim, bool bProtect=false)
std::string	string_remove_whitespace (const std::string &s)
std::vector< std::string >	string_parse_function (const std::string &s)
std::map< std::string, std::string >	string_parse_arrayref (const std::string &s)
std::vector< int >	string_expand_compoundindex (const std::string &indexStr, int min_index, int max_index)
bool	ptInPolygon (const std::vector< QCAD::mathVector > &polygon, const QCAD::mathVector &pt)
	Helper functions.
bool	ptInPolygon (const std::vector< QCAD::mathVector > &polygon, const double *pt)
void	gatherVector (std::vector< double > &v, std::vector< double > &gv, const Epetra_Comm &comm_)
	Helper functions.
void	getOrdering (const std::vector< double > &v, std::vector< int > &ordering)
bool	lessOp (std::pair< std::size_t, double > const &a, std::pair< std::size_t, double > const &b)
double	averageOfVector (const std::vector< double > &v)
double	distance (const std::vector< double > *vCoords, int ind1, int ind2, std::size_t nDims)
std::ostream &	operator<< (std::ostream &os, const mathVector &mv)
std::ostream &	operator<< (std::ostream &os, const nebImagePt &np)
Variables
const int	MAX_FIELDNAMES_IN_INTEGRAL = 10

---

Detailed Description

Provides general-purpose template-specialized functions for use in other evaluator classes.

Helper function prototypes.

Code Base for Quantum Device Simulation Tools LDRD.

Response Description.

---

Function Documentation

std::string QCAD::strdim	(	const std::string	s,
		const int	dim
	)

Definition at line 39 of file QCAD_CoupledPoissonSchrodinger.cpp.

void QCAD::CopyAllStates	(	Albany::StateArrays &	src,
		Albany::StateArrays &	dest,
		const Teuchos::RCP< const Albany::StateInfoStruct > &	stateInfo
	)

Definition at line 190 of file QCAD_MultiSolutionObserver.cpp.

void QCAD::separateCombinedVector	(	Teuchos::RCP< const Epetra_Map >	disc_map,
		int	numCopiesOfDiscMap,
		int	numAdditionalElements,
		const Teuchos::RCP< const Epetra_Comm > &	comm,
		const Teuchos::RCP< Epetra_Vector > &	combinedVector,
		Teuchos::RCP< Epetra_MultiVector > &	disc_parts,
		Teuchos::RCP< Epetra_Vector > &	additional_part
	)

Definition at line 249 of file QCAD_MultiSolutionObserver.cpp.

Teuchos::RCP< Epetra_Map > QCAD::CreateCombinedMap	(	Teuchos::RCP< const Epetra_Map >	disc_map,
		int	numCopiesOfDiscMap,
		int	numAdditionalElements,
		const Teuchos::RCP< const Epetra_Comm > &	comm
	)

Definition at line 212 of file QCAD_MultiSolutionObserver.cpp.

void QCAD::SolveModel

(

const SolverSubSolver &

ss

)

Definition at line 3084 of file QCAD_Solver.cpp.

void QCAD::SolveModel	(	const SolverSubSolver &	ss,
		Albany::StateArrays *&	pInitialStates,
		Albany::StateArrays *&	pFinalStates
	)

Definition at line 3089 of file QCAD_Solver.cpp.

void QCAD::SolveModel	(	const QCAD::SolverSubSolver &	ss,
		Teuchos::RCP< Albany::EigendataStruct > &	pInitialEData,
		Teuchos::RCP< Albany::EigendataStruct > &	pFinalEData
	)

Definition at line 3100 of file QCAD_Solver.cpp.

void QCAD::SolveModel	(	const SolverSubSolver &	ss,
		Albany::StateArrays *&	pInitialStates,
		Albany::StateArrays *&	pFinalStates,
		Teuchos::RCP< Albany::EigendataStruct > &	pInitialEData,
		Teuchos::RCP< Albany::EigendataStruct > &	pFinalEData
	)

Definition at line 3113 of file QCAD_Solver.cpp.

void QCAD::CopyStateToContainer	(	Albany::StateArrays &	src,
		std::string	stateNameToCopy,
		std::vector< Intrepid::FieldContainer< RealType > > &	dest
	)

Definition at line 3131 of file QCAD_Solver.cpp.

void QCAD::CopyContainerToState	(	std::vector< Intrepid::FieldContainer< RealType > > &	src,
		Albany::StateArrays &	dest,
		std::string	stateNameOfCopy
	)

Definition at line 3161 of file QCAD_Solver.cpp.

void QCAD::CopyContainer	(	std::vector< Intrepid::FieldContainer< RealType > > &	src,
		std::vector< Intrepid::FieldContainer< RealType > > &	dest
	)

Definition at line 3184 of file QCAD_Solver.cpp.

void QCAD::AddContainerToContainer	(	std::vector< Intrepid::FieldContainer< RealType > > &	src,
		std::vector< Intrepid::FieldContainer< RealType > > &	dest,
		double	srcFactor,
		double	thisFactor
	)

Definition at line 3199 of file QCAD_Solver.cpp.

void QCAD::AddContainerToState	(	std::vector< Intrepid::FieldContainer< RealType > > &	src,
		Albany::StateArrays &	dest,
		std::string	stateName,
		double	srcFactor,
		double	thisFactor
	)

Definition at line 3224 of file QCAD_Solver.cpp.

void QCAD::CopyState	(	Albany::StateArrays &	src,
		Albany::StateArrays &	dest,
		std::string	stateNameToCopy
	)

Definition at line 3250 of file QCAD_Solver.cpp.

void QCAD::AddStateToState	(	Albany::StateArrays &	src,
		std::string	srcStateNameToAdd,
		Albany::StateArrays &	dest,
		std::string	destStateNameToAddTo
	)

Definition at line 3268 of file QCAD_Solver.cpp.

void QCAD::SubtractStateFromState	(	Albany::StateArrays &	src,
		std::string	srcStateNameToSubtract,
		Albany::StateArrays &	dest,
		std::string	destStateNameToSubtractFrom
	)

Definition at line 3288 of file QCAD_Solver.cpp.

double QCAD::getMaxDifference	(	Albany::StateArrays &	states,
		std::vector< Intrepid::FieldContainer< RealType > > &	prevState,
		std::string	stateName
	)

Definition at line 3307 of file QCAD_Solver.cpp.

double QCAD::getNorm2Difference	(	Albany::StateArrays &	states,
		std::vector< Intrepid::FieldContainer< RealType > > &	prevState,
		std::string	stateName
	)

Definition at line 3338 of file QCAD_Solver.cpp.

double QCAD::getNorm2	(	std::vector< Intrepid::FieldContainer< RealType > > &	container,
		const Teuchos::RCP< const Epetra_Comm > &	comm
	)

Definition at line 3366 of file QCAD_Solver.cpp.

int QCAD::getElementCount

(

std::vector< Intrepid::FieldContainer< RealType > > &

container

)

Definition at line 3391 of file QCAD_Solver.cpp.

void QCAD::ResetEigensolverShift	(	const Teuchos::RCP< EpetraExt::ModelEvaluator > &	Solver,
		double	newShift,
		Teuchos::RCP< Teuchos::ParameterList > &	eigList
	)

Definition at line 3404 of file QCAD_Solver.cpp.

double QCAD::GetEigensolverShift	(	const SolverSubSolver &	ss,
		double	pcBelowMinPotential
	)

Definition at line 3426 of file QCAD_Solver.cpp.

void QCAD::SetPreviousDensityMixing	(	const Teuchos::RCP< EpetraExt::ModelEvaluator::InArgs >	inArgs,
		double	mixingFactor
	)

Definition at line 3071 of file QCAD_Solver.cpp.

std::vector< std::string > QCAD::string_split	(	const std::string &	s,
		char	delim,
		bool	bProtect = false
	)

Definition at line 3451 of file QCAD_Solver.cpp.

std::string QCAD::string_remove_whitespace

(

const std::string &

s

)

Definition at line 3476 of file QCAD_Solver.cpp.

std::vector< std::string > QCAD::string_parse_function

(

const std::string &

s

)

Definition at line 3488 of file QCAD_Solver.cpp.

std::map< std::string, std::string > QCAD::string_parse_arrayref

(

const std::string &

s

)

Definition at line 3510 of file QCAD_Solver.cpp.

std::vector< int > QCAD::string_expand_compoundindex	(	const std::string &	indexStr,
		int	min_index,
		int	max_index
	)

Definition at line 3532 of file QCAD_Solver.cpp.

bool QCAD::ptInPolygon	(	const std::vector< QCAD::mathVector > &	polygon,
		const QCAD::mathVector &	pt
	)

Helper functions.

Definition at line 1869 of file QCAD_SaddleValueResponseFunction.cpp.

bool QCAD::ptInPolygon	(	const std::vector< QCAD::mathVector > &	polygon,
		const double *	pt
	)

Definition at line 1874 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::gatherVector	(	std::vector< double > &	v,
		std::vector< double > &	gv,
		const Epetra_Comm &	comm_
	)

Helper functions.

Definition at line 2121 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::getOrdering	(	const std::vector< double > &	v,
		std::vector< int > &	ordering
	)

Definition at line 2143 of file QCAD_SaddleValueResponseFunction.cpp.

bool QCAD::lessOp	(	std::pair< std::size_t, double > const &	a,
		std::pair< std::size_t, double > const &	b
	)

Definition at line 2138 of file QCAD_SaddleValueResponseFunction.cpp.

double QCAD::averageOfVector

(

const std::vector< double > &

v

)

Definition at line 2162 of file QCAD_SaddleValueResponseFunction.cpp.

double QCAD::distance	(	const std::vector< double > *	vCoords,
		int	ind1,
		int	ind2,
		std::size_t	nDims
	)

Definition at line 2172 of file QCAD_SaddleValueResponseFunction.cpp.

std::ostream & QCAD::operator<<	(	std::ostream &	os,
		const mathVector &	mv
	)

Definition at line 2094 of file QCAD_SaddleValueResponseFunction.cpp.

std::ostream & QCAD::operator<<	(	std::ostream &	os,
		const nebImagePt &	np
	)

Definition at line 2104 of file QCAD_SaddleValueResponseFunction.cpp.

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Variable Documentation

const int QCAD::MAX_FIELDNAMES_IN_INTEGRAL = 10

Definition at line 18 of file QCAD_ResponseFieldIntegral.hpp.