Class MultiJac evaluates the Jacobian of a system of equations defined by a residual function supplied by an instance of class OneDim. More...

#include <MultiJac.h>

Inheritance diagram for MultiJac:

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Detailed Description

Class MultiJac evaluates the Jacobian of a system of equations defined by a residual function supplied by an instance of class OneDim.

The residual function may consist of several linked 1D domains, with different variables in each domain.

Definition at line 23 of file MultiJac.h.

Public Member Functions
	MultiJac (OneDim &r)
	Constructor.

void	eval (double x0, double resid0, double rdt)
	Evaluates the Jacobian at x0 using finite differences.

double	elapsedTime () const
	Elapsed CPU time spent computing the Jacobian.

int	nEvals () const
	Number of Jacobian evaluations.

int	age () const
	Number of times 'incrementAge' has been called since the last evaluation.

void	incrementAge ()
	Increment the Jacobian age.

void	updateTransient (double rdt, integer *mask)
	Update the transient terms in the Jacobian by using the transient mask.

void	setAge (int age)
	Set the Jacobian age.

vector< int > &	transientMask ()
	Return the transient mask.

void	incrementDiagonal (int j, double d)

Public Member Functions inherited from BandMatrix
	BandMatrix ()
	Base Constructor.

	BandMatrix (size_t n, size_t kl, size_t ku, double v=0.0)
	Creates a banded matrix and sets all elements to zero.

	BandMatrix (const BandMatrix &y)

BandMatrix &	operator= (const BandMatrix &y)

void	resize (size_t n, size_t kl, size_t ku, double v=0.0)
	Resize the matrix problem.

void	bfill (double v=0.0)
	Fill or zero the matrix.

double &	operator() (size_t i, size_t j) override
	Index into the (i,j) element.

double	operator() (size_t i, size_t j) const override
	Constant Index into the (i,j) element.

double &	value (size_t i, size_t j)
	Return a changeable reference to element (i,j).

double	value (size_t i, size_t j) const
	Return the value of element (i,j).

size_t	index (size_t i, size_t j) const
	Returns the location in the internal 1D array corresponding to the (i,j) element in the banded array.

double	_value (size_t i, size_t j) const
	Return the value of the (i,j) element for (i,j) within the bandwidth.

size_t	nRows () const override
	Return the number of rows in the matrix.

size_t	nColumns () const
	Number of columns.

size_t	nSubDiagonals () const
	Number of subdiagonals.

size_t	nSuperDiagonals () const
	Number of superdiagonals.

size_t	ldim () const
	Return the number of rows of storage needed for the band storage.

void	mult (const double b, double prod) const override
	Multiply A*b and write result to `prod`.

void	leftMult (const double const b, double const prod) const override
	Multiply b*A and write result to prod.

int	factor () override
	Perform an LU decomposition, the LAPACK routine DGBTRF is used.

int	solve (const double const b, double const x)
	Solve the matrix problem Ax = b.

int	solve (double *b, size_t nrhs=1, size_t ldb=0) override
	Solve the matrix problem Ax = b.

void	zero () override
	Zero the matrix elements.

double	rcond (double a1norm) override
	Returns an estimate of the inverse of the condition number for the matrix.

int	factorAlgorithm () const override
	Returns the factor algorithm used.

double	oneNorm () const override
	Returns the one norm of the matrix.

double *	ptrColumn (size_t j) override
	Return a pointer to the top of column j.

double const	colPts () override
	Return a vector of const pointers to the columns.

size_t	checkRows (double &valueSmall) const override
	Check to see if we have any zero rows in the Jacobian.

size_t	checkColumns (double &valueSmall) const override
	Check to see if we have any zero columns in the Jacobian.

int	info () const
	LAPACK "info" flag after last factor/solve operation.

Public Member Functions inherited from GeneralMatrix
	GeneralMatrix ()=default
	Base Constructor.

virtual void	zero ()=0
	Zero the matrix elements.

virtual void	mult (const double b, double prod) const =0
	Multiply A*b and write result to prod.

virtual void	leftMult (const double const b, double const prod) const =0
	Multiply b*A and write result to prod.

virtual int	factor ()=0
	Factors the A matrix, overwriting A.

virtual int	factorQR ()
	Factors the A matrix using the QR algorithm, overwriting A.

virtual double	rcondQR ()
	Returns an estimate of the inverse of the condition number for the matrix.

virtual double	rcond (double a1norm)=0
	Returns an estimate of the inverse of the condition number for the matrix.

virtual void	useFactorAlgorithm (int fAlgorithm)
	Change the way the matrix is factored.

virtual int	factorAlgorithm () const =0
	Return the factor algorithm used.

virtual double	oneNorm () const =0
	Calculate the one norm of the matrix.

virtual size_t	nRows () const =0
	Return the number of rows in the matrix.

virtual void	clearFactorFlag ()
	clear the factored flag

virtual int	solve (double *b, size_t nrhs=1, size_t ldb=0)=0
	Solves the Ax = b system returning x in the b spot.

virtual bool	factored () const
	true if the current factorization is up to date with the matrix

virtual double *	ptrColumn (size_t j)=0
	Return a pointer to the top of column j, columns are assumed to be contiguous in memory.

virtual double &	operator() (size_t i, size_t j)=0
	Index into the (i,j) element.

virtual double	operator() (size_t i, size_t j) const =0
	Constant Index into the (i,j) element.

virtual double const	colPts ()=0
	Return a vector of const pointers to the columns.

virtual size_t	checkRows (double &valueSmall) const =0
	Check to see if we have any zero rows in the Jacobian.

virtual size_t	checkColumns (double &valueSmall) const =0
	Check to see if we have any zero columns in the Jacobian.

Protected Attributes
OneDim *	m_resid
	Residual evaluator for this Jacobian.

vector< double >	m_r1
	Perturbed residual vector.

double	m_rtol = 1e-5
	Relative tolerance for perturbing solution components.

double	m_atol = sqrt(std::numeric_limits<double>::epsilon())
	Absolute tolerance for perturbing solution components.

double	m_elapsed = 0.0
	Elapsed CPU time taken to compute the Jacobian.

vector< double >	m_ssdiag
	Diagonal of the steady-state Jacobian.

vector< int >	m_mask
	Transient mask for transient terms, 1 if transient, 0 if steady-state.

int	m_nevals = 0
	Number of Jacobian evaluations.

int	m_age = 100000
	Age of the Jacobian (times incrementAge() has been called)

Protected Attributes inherited from BandMatrix
vector< double >	data
	Matrix data.

vector< double >	ludata
	Factorized data.

size_t	m_n = 0
	Number of rows and columns of the matrix.

size_t	m_kl = 0
	Number of subdiagonals of the matrix.

size_t	m_ku = 0
	Number of super diagonals of the matrix.

double	m_zero = 0
	value of zero

unique_ptr< PivData >	m_ipiv
	Pivot vector.

vector< double * >	m_colPtrs
	Vector of column pointers.

vector< double * >	m_lu_col_ptrs

vector< int >	iwork_
	Extra work array needed - size = n.

vector< double >	work_
	Extra dp work array needed - size = 3n.

int	m_info = 0

Protected Attributes inherited from GeneralMatrix
int	m_factored = false
	Indicates whether the matrix is factored.

Constructor & Destructor Documentation

◆ MultiJac()

MultiJac ( OneDim & r )

Constructor.

Parameters

r	The nonlinear system for which to compute the Jacobian.

Definition at line 12 of file MultiJac.cpp.

Member Function Documentation

◆ eval()

void eval	(	double *	x0,
		double *	resid0,
		double	rdt
	)

Evaluates the Jacobian at x0 using finite differences.

The unperturbed residual function is resid0, which must be supplied on input. The parameter 'rdt' is the reciprocal of the time step. If zero, the steady-state Jacobian is evaluated, otherwise the transient Jacobian is evaluated.

Each variable in the input vector x0 is perturbed to compute the corresponding column of the Jacobian matrix. The Jacobian is computed by perturbing each variable, evaluating the residual function, and then estimating the partial derivatives numerically using finite differences.

Parameters

x0	Solution vector at which to evaluate the Jacobian
resid0	Residual vector at x0
rdt	Reciprocal of the time step

Definition at line 35 of file MultiJac.cpp.

◆ elapsedTime()

double elapsedTime ( ) const

inline

Elapsed CPU time spent computing the Jacobian.

Definition at line 48 of file MultiJac.h.

◆ nEvals()

int nEvals ( ) const

inline

Number of Jacobian evaluations.

Definition at line 53 of file MultiJac.h.

◆ age()

int age ( ) const

inline

Number of times 'incrementAge' has been called since the last evaluation.

Definition at line 58 of file MultiJac.h.

◆ incrementAge()

void incrementAge ( )

inline

Increment the Jacobian age.

Definition at line 63 of file MultiJac.h.

◆ updateTransient()

void updateTransient	(	double	rdt,
		integer *	mask
	)

Update the transient terms in the Jacobian by using the transient mask.

Definition at line 21 of file MultiJac.cpp.

◆ setAge()

void setAge ( int age )

inline

Set the Jacobian age.

Definition at line 71 of file MultiJac.h.

◆ transientMask()

vector< int > & transientMask ( )

inline

Return the transient mask.

Definition at line 76 of file MultiJac.h.

◆ incrementDiagonal()

void incrementDiagonal	(	int	j,
		double	d
	)

Deprecated:: To be removed after Cantera 3.1.

Definition at line 28 of file MultiJac.cpp.

Member Data Documentation

◆ m_resid

OneDim* m_resid

protected

Residual evaluator for this Jacobian.

This is a pointer to the residual evaluator. This object isn't owned by this Jacobian object.

Definition at line 89 of file MultiJac.h.

◆ m_r1

vector<double> m_r1

protected

Perturbed residual vector.

Definition at line 91 of file MultiJac.h.

◆ m_rtol

double m_rtol = 1e-5

protected

Relative tolerance for perturbing solution components.

Definition at line 92 of file MultiJac.h.

◆ m_atol

double m_atol = sqrt(std::numeric_limits<double>::epsilon())

protected

Absolute tolerance for perturbing solution components.

Definition at line 95 of file MultiJac.h.

◆ m_elapsed

double m_elapsed = 0.0

protected

Elapsed CPU time taken to compute the Jacobian.

Definition at line 97 of file MultiJac.h.

◆ m_ssdiag

vector<double> m_ssdiag

protected

Diagonal of the steady-state Jacobian.

Definition at line 98 of file MultiJac.h.

◆ m_mask

vector<int> m_mask

protected

Transient mask for transient terms, 1 if transient, 0 if steady-state.

Definition at line 101 of file MultiJac.h.

◆ m_nevals

int m_nevals = 0

protected

Number of Jacobian evaluations.

Definition at line 103 of file MultiJac.h.

◆ m_age

int m_age = 100000

protected

Age of the Jacobian (times incrementAge() has been called)

Definition at line 104 of file MultiJac.h.

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

Detailed Description

Public Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ MultiJac()

Member Function Documentation

◆ eval()

◆ elapsedTime()

◆ nEvals()

◆ age()

◆ incrementAge()

◆ updateTransient()

◆ setAge()

◆ transientMask()

◆ incrementDiagonal()

Member Data Documentation

◆ m_resid

◆ m_r1

◆ m_rtol

◆ m_atol

◆ m_elapsed

◆ m_ssdiag

◆ m_mask

◆ m_nevals

◆ m_age