Reponse function for finding saddle point values of a field. More...

#include <QCAD_SaddleValueResponseFunction.hpp>

Inheritance diagram for QCAD::SaddleValueResponseFunction:

Collaboration diagram for QCAD::SaddleValueResponseFunction:

Public Member Functions
	SaddleValueResponseFunction (const Teuchos::RCP< Albany::Application > &application, const Teuchos::RCP< Albany::AbstractProblem > &problem, const Teuchos::RCP< Albany::MeshSpecsStruct > &ms, const Teuchos::RCP< Albany::StateManager > &stateMgr, Teuchos::ParameterList &responseParams)
	Constructor.
virtual	~SaddleValueResponseFunction ()
	Destructor.
virtual unsigned int	numResponses () const
	Get the number of responses.
virtual void	evaluateResponse (const double current_time, const Epetra_Vector xdot, const Epetra_Vector xdotdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g)
	Evaluate responses.
virtual void	evaluateTangent (const double alpha, const double beta, const double omega, const double current_time, bool sum_derivs, const Epetra_Vector xdot, const Epetra_Vector xdotdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, ParamVec deriv_p, const Epetra_MultiVector Vxdot, const Epetra_MultiVector Vxdotdot, const Epetra_MultiVector Vx, const Epetra_MultiVector Vp, Epetra_Vector g, Epetra_MultiVector gx, Epetra_MultiVector gp)
	Evaluate tangent = dg/dxdx/dp + dg/dxdotdxdot/dp + dg/dp.
virtual void	evaluateGradient (const double current_time, const Epetra_Vector xdot, const Epetra_Vector xdotdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, ParamVec deriv_p, Epetra_Vector g, Epetra_MultiVector dg_dx, Epetra_MultiVector dg_dxdot, Epetra_MultiVector dg_dxdotdot, Epetra_MultiVector dg_dp)
	Evaluate gradient = dg/dx, dg/dxdot, dg/dp.
virtual void	postProcessResponses (const Epetra_Comm &comm, const Teuchos::RCP< Epetra_Vector > &g)
	Post process responses.
virtual void	postProcessResponseDerivatives (const Epetra_Comm &comm, const Teuchos::RCP< Epetra_MultiVector > &gt)
	Post process response derivatives.
std::string	getMode ()
	Called by evaluator to interface with class data that persists across worksets.
bool	pointIsInImagePtRegion (const double *p, double refZ) const
bool	pointIsInAccumRegion (const double *p, double refZ) const
bool	pointIsInLevelSetRegion (const double *p, double refZ) const
void	addBeginPointData (const std::string &elementBlock, const double *p, double value)
void	addEndPointData (const std::string &elementBlock, const double *p, double value)
void	addImagePointData (const double p, double value, double grad)
void	addFinalImagePointData (const double *p, double value)
void	accumulatePointData (const double p, double value, double grad)
void	accumulateLevelSetData (const double *p, double value, double cellArea)
double	getSaddlePointWeight (const double *p) const
double	getTotalSaddlePointWeight () const
const double *	getSaddlePointPosition () const
double	getCurrent (const double &lattTemp, const Teuchos::RCP< QCAD::MaterialDatabase > &materialDB) const
Private Member Functions
void	initializeImagePoints (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
	Helper functions for Nudged Elastic Band (NEB) algorithm, performed in evaluateResponse.
void	initializeFinalImagePoints (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
void	doNudgedElasticBand (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
void	fillSaddlePointData (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
void	doLevelSet (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
	Helper functions for level-set algorithm, performed in evaluateResponse.
int	FindSaddlePoint_LevelSet (std::vector< double > &allFieldVals, std::vector< double > *allCoords, std::vector< int > &ordering, double cutoffDistance, double cutoffFieldVal, double minDepth, int dbMode, Epetra_Vector &g)
	Level-set Algorithm for finding saddle point.
void	getImagePointValues (const double current_time, const Epetra_Vector xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, double globalPtValues, double globalPtWeights, double globalPtGrads, std::vector< mathVector > lastPositions, int dbMode)
	Helper functions for doNudgedElasticBand(...).
void	getFinalImagePointValues (const double current_time, const Epetra_Vector *xdot, const Epetra_Vector &x, const Teuchos::Array< ParamVec > &p, Epetra_Vector &g, int dbMode)
void	writeOutput (int nIters)
void	initialIterationSetup (double &gradScale, double &springScale, int dbMode)
void	computeTangent (std::size_t i, mathVector &tangent, int dbMode)
void	computeClimbingForce (std::size_t i, const QCAD::mathVector &tangent, const double &gradScale, QCAD::mathVector &force, int dbMode)
void	computeForce (std::size_t i, const QCAD::mathVector &tangent, const std::vector< double > &springConstants, const double &gradScale, const double &springScale, QCAD::mathVector &force, double &dt, double &dt2, int dbMode)
bool	matchesCurrentResults (Epetra_Vector &g) const
	SaddleValueResponseFunction (const SaddleValueResponseFunction &)
	Private to prohibit copying.
SaddleValueResponseFunction &	operator= (const SaddleValueResponseFunction &)
	Private to prohibit copying.
double	pointFn (double d, double radius) const
	function giving distribution of weights for "point"
int	getHighestPtIndex () const
	helper function to get the highest image point (the one with the largest value)
Private Attributes
Teuchos::RCP< const Epetra_Comm >	comm
	Epetra Communicator.
std::size_t	numDims
	data used across worksets and processors in saddle point algorithm
std::size_t	nImagePts
std::vector< nebImagePt >	imagePts
std::vector< nebImagePt >	finalPts
double	imagePtSize
bool	bClimbing
bool	bAdaptivePointSize
double	minAdaptivePointWt
double	maxAdaptivePointWt
double	antiKinkFactor
bool	bAggregateWorksets
	data for memory-intensive but fast mode (hold entire proc's data)
std::vector< double >	vFieldValues
std::vector< maxDimPt >	vCoords
std::vector< maxDimPt >	vGrads
std::vector< double >	vlsFieldValues
	data for level set method
std::vector< double >	vlsCellAreas
std::vector< double >	vlsCoords [3]
double	fieldCutoffFctr
double	minPoolDepthFctr
double	distanceCutoffFctr
double	levelSetRadius
int	iSaddlePt
double	returnFieldVal
double	maxTimeStep
double	minTimeStep
double	minSpringConstant
double	maxSpringConstant
std::size_t	maxIterations
std::size_t	backtraceAfterIters
double	convergeTolerance
std::string	beginRegionType
	data for beginning and ending regions
std::string	endRegionType
std::string	beginElementBlock
std::string	endElementBlock
std::vector< mathVector >	beginPolygon
std::vector< mathVector >	endPolygon
bool	saddleGuessGiven
mathVector	saddlePointGuess
double	shortenBeginPc
double	shortenEndPc
double	zmin
double	zmax
double	xmin
double	xmax
double	ymin
double	ymax
bool	bLockToPlane
double	lockedZ
int	maxFinalPts
	data for final points (just used at end to get more data pts along saddle path)
double	gfGridSpacing
double	fieldScaling
double	initVds
double	finalVds
int	stepsVds
bool	bSweepVds
std::string	gfEigensolver
bool	bGetCurrent
double	current_Ecutoff_offset_from_Emax
mathVector	imagePtValues
	accumulation vectors for evaluator to fill
mathVector	imagePtWeights
mathVector	imagePtGradComps
mathVector	finalPtValues
mathVector	finalPtWeights
std::string	mode
	mode of current evaluator operation (maybe not thread safe?)
int	debugMode
std::string	outputFilename
std::string	debugFilename
int	nEvery
bool	appendOutput

Detailed Description

Reponse function for finding saddle point values of a field.

Definition at line 98 of file QCAD_SaddleValueResponseFunction.hpp.

Constructor & Destructor Documentation

QCAD::SaddleValueResponseFunction::SaddleValueResponseFunction	(	const Teuchos::RCP< Albany::Application > &	application,
		const Teuchos::RCP< Albany::AbstractProblem > &	problem,
		const Teuchos::RCP< Albany::MeshSpecsStruct > &	ms,
		const Teuchos::RCP< Albany::StateManager > &	stateMgr,
		Teuchos::ParameterList &	responseParams
	)

Constructor.

Definition at line 29 of file QCAD_SaddleValueResponseFunction.cpp.

QCAD::SaddleValueResponseFunction::~SaddleValueResponseFunction ( ) [virtual]

Destructor.

Definition at line 200 of file QCAD_SaddleValueResponseFunction.cpp.

QCAD::SaddleValueResponseFunction::SaddleValueResponseFunction ( const SaddleValueResponseFunction & ) [private]

Private to prohibit copying.

Member Function Documentation

unsigned int QCAD::SaddleValueResponseFunction::numResponses ( ) const [virtual]

Get the number of responses.

Reimplemented from Albany::FieldManagerScalarResponseFunction.

Definition at line 206 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::evaluateResponse	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector *	xdotdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g
	)			`[virtual]`

Evaluate responses.

Reimplemented from Albany::FieldManagerScalarResponseFunction.

Definition at line 213 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::evaluateTangent	(	const double	alpha,
		const double	beta,
		const double	omega,
		const double	current_time,
		bool	sum_derivs,
		const Epetra_Vector *	xdot,
		const Epetra_Vector *	xdotdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		ParamVec *	deriv_p,
		const Epetra_MultiVector *	Vxdot,
		const Epetra_MultiVector *	Vxdotdot,
		const Epetra_MultiVector *	Vx,
		const Epetra_MultiVector *	Vp,
		Epetra_Vector *	g,
		Epetra_MultiVector *	gx,
		Epetra_MultiVector *	gp
	)			`[virtual]`

Evaluate tangent = dg/dx*dx/dp + dg/dxdot*dxdot/dp + dg/dp.

Reimplemented from Albany::FieldManagerScalarResponseFunction.

Definition at line 1265 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::evaluateGradient	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector *	xdotdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		ParamVec *	deriv_p,
		Epetra_Vector *	g,
		Epetra_MultiVector *	dg_dx,
		Epetra_MultiVector *	dg_dxdot,
		Epetra_MultiVector *	dg_dxdotdot,
		Epetra_MultiVector *	dg_dp
	)			`[virtual]`

Evaluate gradient = dg/dx, dg/dxdot, dg/dp.

Reimplemented from Albany::FieldManagerScalarResponseFunction.

Definition at line 1314 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::postProcessResponses	(	const Epetra_Comm &	comm,
		const Teuchos::RCP< Epetra_Vector > &	g
	)			`[virtual]`

Post process responses.

Definition at line 1347 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::postProcessResponseDerivatives	(	const Epetra_Comm &	comm,
		const Teuchos::RCP< Epetra_MultiVector > &	gt
	)			`[virtual]`

Post process response derivatives.

Definition at line 1353 of file QCAD_SaddleValueResponseFunction.cpp.

std::string QCAD::SaddleValueResponseFunction::getMode ( )

Called by evaluator to interface with class data that persists across worksets.

Definition at line 1625 of file QCAD_SaddleValueResponseFunction.cpp.

bool QCAD::SaddleValueResponseFunction::pointIsInImagePtRegion	(	const double *	p,
		double	refZ
	)			const

Definition at line 1632 of file QCAD_SaddleValueResponseFunction.cpp.

bool QCAD::SaddleValueResponseFunction::pointIsInAccumRegion	(	const double *	p,
		double	refZ
	)			const

Definition at line 1640 of file QCAD_SaddleValueResponseFunction.cpp.

bool QCAD::SaddleValueResponseFunction::pointIsInLevelSetRegion	(	const double *	p,
		double	refZ
	)			const

Definition at line 1648 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::addBeginPointData	(	const std::string &	elementBlock,
		const double *	p,
		double	value
	)

Definition at line 1658 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::addEndPointData	(	const std::string &	elementBlock,
		const double *	p,
		double	value
	)

Definition at line 1693 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::addImagePointData	(	const double *	p,
		double	value,
		double *	grad
	)

Definition at line 1729 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::addFinalImagePointData	(	const double *	p,
		double	value
	)

Definition at line 1748 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::accumulatePointData	(	const double *	p,
		double	value,
		double *	grad
	)

Definition at line 1762 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::accumulateLevelSetData	(	const double *	p,
		double	value,
		double	cellArea
	)

Definition at line 1771 of file QCAD_SaddleValueResponseFunction.cpp.

double QCAD::SaddleValueResponseFunction::getSaddlePointWeight ( const double * p ) const

Definition at line 1782 of file QCAD_SaddleValueResponseFunction.cpp.

double QCAD::SaddleValueResponseFunction::getTotalSaddlePointWeight ( ) const

Definition at line 1788 of file QCAD_SaddleValueResponseFunction.cpp.

const double * QCAD::SaddleValueResponseFunction::getSaddlePointPosition ( ) const

Definition at line 1794 of file QCAD_SaddleValueResponseFunction.cpp.

double QCAD::SaddleValueResponseFunction::getCurrent	(	const double &	lattTemp,
		const Teuchos::RCP< QCAD::MaterialDatabase > &	materialDB
	)			const

Definition at line 1113 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::initializeImagePoints	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Helper functions for Nudged Elastic Band (NEB) algorithm, performed in evaluateResponse.

Shorten beginning and end of path if requested (used to move begin/end point off of a contact region in QCAD)

Initialize Image Points:

Definition at line 285 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::initializeFinalImagePoints	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Initialize Final Image Points: interpolate between current image points If starting from the saddle point, the resulting finalPts.value vs pathLength is shifted away from the imagePts.value vs pathLength curve. Hence, start from the first image point, and equally divide the entire saddle into (maxPoints-1) pieces.

Definition at line 414 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::doNudgedElasticBand	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Definition at line 576 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::fillSaddlePointData	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Definition at line 826 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::doLevelSet	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Helper functions for level-set algorithm, performed in evaluateResponse.

Gather data from different processors

Exit early if there are no field values in the specified region

Print gathered size on proc 0

Sort data by field value

Compute max/min field values

Set cutoffs

Definition at line 879 of file QCAD_SaddleValueResponseFunction.cpp.

int QCAD::SaddleValueResponseFunction::FindSaddlePoint_LevelSet	(	std::vector< double > &	allFieldVals,
		std::vector< double > *	allCoords,
		std::vector< int > &	ordering,
		double	cutoffDistance,
		double	cutoffFieldVal,
		double	minDepth,
		int	dbMode,
		Epetra_Vector &	g
	)			`[private]`

Level-set Algorithm for finding saddle point.

Definition at line 970 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::getImagePointValues	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		double *	globalPtValues,
		double *	globalPtWeights,
		double *	globalPtGrads,
		std::vector< mathVector >	lastPositions,
		int	dbMode
	)			`[private]`

Helper functions for doNudgedElasticBand(...).

void QCAD::SaddleValueResponseFunction::getFinalImagePointValues	(	const double	current_time,
		const Epetra_Vector *	xdot,
		const Epetra_Vector &	x,
		const Teuchos::Array< ParamVec > &	p,
		Epetra_Vector &	g,
		int	dbMode
	)			`[private]`

Definition at line 1426 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::writeOutput ( int nIters ) [private]

Definition at line 1488 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::initialIterationSetup	(	double &	gradScale,
		double &	springScale,
		int	dbMode
	)			`[private]`

Definition at line 1507 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::computeTangent	(	std::size_t	i,
		QCAD::mathVector &	tangent,
		int	dbMode
	)			`[private]`

Definition at line 1533 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::computeClimbingForce	(	std::size_t	i,
		const QCAD::mathVector &	tangent,
		const double &	gradScale,
		QCAD::mathVector &	force,
		int	dbMode
	)			`[private]`

Definition at line 1560 of file QCAD_SaddleValueResponseFunction.cpp.

void QCAD::SaddleValueResponseFunction::computeForce	(	std::size_t	i,
		const QCAD::mathVector &	tangent,
		const std::vector< double > &	springConstants,
		const double &	gradScale,
		const double &	springScale,
		QCAD::mathVector &	force,
		double &	dt,
		double &	dt2,
		int	dbMode
	)			`[private]`