One-dimensional simulations. More...

#include <Sim1D.h>

Inheritance diagram for Sim1D:

Detailed Description

One-dimensional simulations.

Class Sim1D extends class OneDim by storing the solution vector, and by adding a hybrid Newton/time-stepping solver.

Definition at line 21 of file Sim1D.h.

Public Member Functions
	Sim1D ()
	Default constructor.

	Sim1D (vector< shared_ptr< Domain1D > > &domains)
	Standard constructor.

void	solve (int loglevel=0, bool refine_grid=true)
	Performs the hybrid Newton steady/time-stepping solution.

void	eval (double rdt=-1.0, int count=1)

void	getResidual (double rdt, double *resid)
	Evaluate the governing equations and return the vector of residuals.

int	refine (int loglevel=0)
	Refine the grid in all domains.

int	setFixedTemperature (double t)
	Add node for fixed temperature point of freely propagating flame.

double	fixedTemperature ()
	Return temperature at the point used to fix the flame location.

double	fixedTemperatureLocation ()
	Return location of the point where temperature is fixed.

void	setLeftControlPoint (double temperature)
	Set the left control point location using the specified temperature.

void	setRightControlPoint (double temperature)
	Set the right control point location using the specified temperature.

void	setRefineCriteria (int dom=-1, double ratio=10.0, double slope=0.8, double curve=0.8, double prune=-0.1)
	Set grid refinement criteria.

vector< double >	getRefineCriteria (int dom)
	Get the grid refinement criteria.

void	setMaxGridPoints (int dom, int npoints)
	Set the maximum number of grid points in the domain.

size_t	maxGridPoints (size_t dom)
	Get the maximum number of grid points in this domain.

void	setGridMin (int dom, double gridmin)
	Set the minimum grid spacing in the specified domain(s).

void	restoreTimeSteppingSolution ()
	Set the current solution vector to the last successful time-stepping solution.

void	restoreSteadySolution ()
	Set the current solution vector and grid to the last successful steady- state solution.

void	getInitialSoln ()
	Get the initial value of the system state from each domain in the simulation.

double	jacobian (int i, int j)
	Get the Jacobian element \( J_{ij} = \partial f_i / \partial x_j \).

void	evalSSJacobian ()
	Evaluate the Jacobian in steady-state mode.

void	solveAdjoint (const double b, double lambda)
	Solve the equation \( J^T \lambda = b \).

void	resize () override
	Call to set the size of internal data structures after first defining the system or if the problem size changes, for example after grid refinement.

void	setSteadyCallback (Func1 *callback)
	Set a function that will be called after each successful steady-state solve, before regridding.

void	eval (size_t j, double x, double r, double rdt=-1.0, int count=1)
	Evaluate the multi-domain residual function.

void	eval (double x, double r, double rdt=-1.0, int count=1) override
	Evaluate the residual function.

Setting initial values
These methods are used to set the initial values of solution components.
void	setInitialGuess (const string &component, vector< double > &locs, vector< double > &vals)
	Set initial guess for one component for all domains.

void	setValue (size_t dom, size_t comp, size_t localPoint, double value)
	Set a single value in the solution vector.

double	value (size_t dom, size_t comp, size_t localPoint) const
	Get one entry in the solution vector.

double	workValue (size_t dom, size_t comp, size_t localPoint) const
	Get an entry in the work vector, which may contain either a new system state or the current residual of the system.

void	setProfile (size_t dom, size_t comp, const vector< double > &pos, const vector< double > &values)
	Specify a profile for one component of one domain.

void	setFlatProfile (size_t dom, size_t comp, double v)
	Set component 'comp' of domain 'dom' to value 'v' at all points.

Logging, saving and restoring of solutions
void	show ()
	Show logging information on current solution for all domains.

void	save (const string &fname, const string &name, const string &desc, bool overwrite=false, int compression=0, const string &basis="")
	Save current simulation data to a container file or CSV format.

void	saveResidual (const string &fname, const string &name, const string &desc, bool overwrite=false, int compression=0)
	Save the residual of the current solution to a container file.

AnyMap	restore (const string &fname, const string &name)
	Retrieve data and settings from a previously saved simulation.

void	clearDebugFile () override
	Deletes a `debug_sim1d.yaml` file if it exists.

void	writeDebugInfo (const string &header_suffix, const string &message, int loglevel, int attempt_counter) override
	Write solver debugging information to a YAML file based on the specified log level.

Public Member Functions inherited from OneDim
	OneDim ()=default
	Default constructor.

	OneDim (vector< shared_ptr< Domain1D > > &domains)
	Construct a OneDim container for the domains in the list domains.

void	addDomain (shared_ptr< Domain1D > d)
	Add a domain. Domains are added left-to-right.

shared_ptr< SystemJacobian >	getJacobian ()

double	weightedNorm (const double *step) const override
	Compute the weighted norm of a step vector.

MultiJac &	jacobian ()
	Return a reference to the Jacobian evaluator of an OneDim object.

size_t	nDomains () const
	Number of domains.

Domain1D &	domain (size_t i) const
	Return a reference to domain i.

size_t	domainIndex (const string &name)
	Get the index of the domain named `name`.

void	checkDomainIndex (size_t n) const
	Check that the specified domain index is in range.

void	checkDomainArraySize (size_t nn) const
	Check that an array size is at least nDomains().

size_t	start (size_t i) const
	The index of the start of domain i in the solution vector.

Domain1D *	left ()
	Pointer to left-most domain (first added).

Domain1D *	right ()
	Pointer to right-most domain (last added).

size_t	nVars (size_t jg)
	Number of solution components at global point `jg`.

size_t	loc (size_t jg)
	Location in the solution vector of the first component of global point `jg`.

std::tuple< string, size_t, string >	component (size_t i) const
	Return the domain, local point index, and component name for the i-th component of the global solution vector.

string	componentName (size_t i) const override
	Get the name of the i-th component of the state vector.

pair< string, string >	componentTableHeader () const override
	Get header lines describing the column names included in a component label.

string	componentTableLabel (size_t i) const override
	Get elements of the component name, aligned with the column headings given by componentTableHeader().

double	upperBound (size_t i) const override
	Get the upper bound for global component i in the state vector.

double	lowerBound (size_t i) const override
	Get the lower bound for global component i in the state vector.

void	init ()
	Initialize all domains.

size_t	points ()
	Total number of points.

void	initTimeInteg (double dt, double *x) override
	Prepare for time stepping beginning with solution x and timestep dt.

void	setSteadyMode () override
	Prepare to solve the steady-state problem.

void	eval (size_t j, double x, double r, double rdt=-1.0, int count=1)
	Evaluate the multi-domain residual function.

void	eval (double x, double r, double rdt=-1.0, int count=1) override
	Evaluate the residual function.

void	evalJacobian (double *x0) override
	Evaluates the Jacobian at x0 using finite differences.

Domain1D *	pointDomain (size_t i)
	Return a pointer to the domain global point i belongs to.

void	resize () override
	Call to set the size of internal data structures after first defining the system or if the problem size changes, for example after grid refinement.

void	resetBadValues (double *x) override
	Reset values such as negative species concentrations.

void	writeStats (int printTime=1)
	Write statistics about the number of iterations and Jacobians at each grid level.

void	saveStats ()
	Save statistics on function and Jacobian evaluation, and reset the counters.

void	clearStats ()
	Clear saved statistics.

const vector< size_t > &	gridSizeStats ()
	Return total grid size in each call to solve()

const vector< double > &	jacobianTimeStats ()
	Return CPU time spent evaluating Jacobians in each call to solve()

const vector< double > &	evalTimeStats ()
	Return CPU time spent on non-Jacobian function evaluations in each call to solve()

const vector< int > &	jacobianCountStats ()
	Return number of Jacobian evaluations made in each call to solve()

const vector< int > &	evalCountStats ()
	Return number of non-Jacobian function evaluations made in each call to solve()

const vector< int > &	timeStepStats ()
	Return number of time steps taken in each call to solve()

Public Member Functions inherited from SteadyStateSystem
	SteadyStateSystem (const SteadyStateSystem &)=delete

SteadyStateSystem &	operator= (const SteadyStateSystem &)=delete

virtual void	eval (double x, double r, double rdt=-1.0, int count=1)=0
	Evaluate the residual function.

virtual void	evalJacobian (double *x0)=0
	Evaluates the Jacobian at x0 using finite differences.

virtual double	weightedNorm (const double *step) const =0
	Compute the weighted norm of `step`.

int	solve (double x0, double x1, int loglevel)
	Solve \( F(x) = 0 \), where \( F(x) \) is the residual function.

void	setInitialGuess (const double *x)
	Set the initial guess. Should be called before solve().

void	solve (int loglevel=0)
	Solve the steady-state problem, taking internal timesteps as necessary until the Newton solver can converge for the steady problem.

void	getState (double *x) const
	Get the converged steady-state solution after calling solve().

double	ssnorm (double x, double r)
	Steady-state max norm (infinity norm) of the residual evaluated using solution x.

size_t	size () const
	Total solution vector length;.

virtual void	resize ()
	Call to set the size of internal data structures after first defining the system or if the problem size changes, for example after grid refinement.

size_t	bandwidth () const
	Jacobian bandwidth.

virtual string	componentName (size_t i) const
	Get the name of the i-th component of the state vector.

virtual pair< string, string >	componentTableHeader () const
	Get header lines describing the column names included in a component label.

virtual string	componentTableLabel (size_t i) const
	Get elements of the component name, aligned with the column headings given by componentTableHeader().

virtual double	upperBound (size_t i) const =0
	Get the upper bound for global component i in the state vector.

virtual double	lowerBound (size_t i) const =0
	Get the lower bound for global component i in the state vector.

MultiNewton &	newton ()
	Return a reference to the Newton iterator.

void	setLinearSolver (shared_ptr< SystemJacobian > solver)
	Set the linear solver used to hold the Jacobian matrix and solve linear systems as part of each Newton iteration.

shared_ptr< SystemJacobian >	linearSolver () const
	Get the the linear solver being used to hold the Jacobian matrix and solve linear systems as part of each Newton iteration.

double	rdt () const
	Reciprocal of the time step.

bool	transient () const
	True if transient mode.

bool	steady () const
	True if steady mode.

virtual void	initTimeInteg (double dt, double *x)
	Prepare for time stepping beginning with solution x and timestep dt.

virtual void	setSteadyMode ()
	Prepare to solve the steady-state problem.

vector< int > &	transientMask ()
	Access the vector indicating which equations contain a transient term.

double	timeStep (int nsteps, double dt, double x, double r, int loglevel)
	Take time steps using Backward Euler.

virtual void	resetBadValues (double *x)
	Reset values such as negative species concentrations.

void	setJacAge (int ss_age, int ts_age=-1)
	Set the maximum number of steps that can be taken using the same Jacobian before it must be re-evaluated.

void	setInterrupt (Func1 *interrupt)
	Set a function that will be called every time eval is called.

void	setTimeStepCallback (Func1 *callback)
	Set a function that will be called after each successful timestep.

void	setJacobianPerturbation (double relative, double absolute, double threshold)
	Configure perturbations used to evaluate finite difference Jacobian.

virtual void	writeDebugInfo (const string &header_suffix, const string &message, int loglevel, int attempt_counter)
	Write solver debugging based on the specified log level.

virtual void	clearDebugFile ()
	Delete debug output file that may be created by writeDebugInfo() when solving with high `loglevel`.

void	setTimeStep (double stepsize, size_t n, const int *tsteps)
	Set the number of time steps to try when the steady Newton solver is unsuccessful.

void	setMinTimeStep (double tmin)
	Set the minimum time step allowed during time stepping.

void	setMaxTimeStep (double tmax)
	Set the maximum time step allowed during time stepping.

void	setTimeStepFactor (double tfactor)
	Sets a factor by which the time step is reduced if the time stepping fails.

void	setMaxTimeStepCount (int nmax)
	Set the maximum number of timeteps allowed before successful steady-state solve.

int	maxTimeStepCount () const
	Get the maximum number of timeteps allowed before successful steady-state solve.

Protected Attributes
vector< double >	m_xlast_ss
	the solution vector after the last successful steady-state solve (stored before grid refinement)

vector< vector< double > >	m_grid_last_ss
	the grids for each domain after the last successful steady-state solve (stored before grid refinement)

Func1 *	m_steady_callback
	User-supplied function called after a successful steady-state solve.

Protected Attributes inherited from OneDim
vector< shared_ptr< Domain1D > >	m_dom
	All domains comprising the system.

vector< shared_ptr< Domain1D > >	m_connect
	All connector and boundary domains.

vector< shared_ptr< Domain1D > >	m_bulk
	All bulk/flow domains.

bool	m_init = false
	Indicates whether one-time initialization for each domain has been completed.

vector< size_t >	m_nvars
	Number of variables at each point, across all domains.

vector< size_t >	m_loc
	Location in the state vector of the first component of each point, across all domains.

vector< std::tuple< size_t, size_t, size_t > >	m_componentInfo
	Domain, grid point, and component indices for each element of the global state vector.

size_t	m_pts = 0
	Total number of points.

Protected Attributes inherited from SteadyStateSystem
vector< int >	m_steps = { 10 }
	Array of number of steps to take after each unsuccessful steady-state solve before re-attempting the steady-state solution.

double	m_tstep = 1.0e-5
	Initial timestep.

double	m_tmin = 1e-16
	Minimum timestep size.

double	m_tmax = 1e+08
	Maximum timestep size.

double	m_tfactor = 0.5
	Factor time step is multiplied by if time stepping fails ( < 1 )

shared_ptr< vector< double > >	m_state
	Solution vector.

vector< double >	m_xnew
	Work array used to hold the residual or the new solution.

vector< double >	m_xlast_ts
	State vector after the last successful set of time steps.

unique_ptr< MultiNewton >	m_newt
	Newton iterator.

double	m_rdt = 0.0
	Reciprocal of time step.

shared_ptr< SystemJacobian >	m_jac
	Jacobian evaluator.

bool	m_jac_ok = false
	If `true`, Jacobian is current.

size_t	m_bw = 0
	Jacobian bandwidth.

size_t	m_size = 0
	Solution vector size

vector< double >	m_work1
	Work arrays used during Jacobian evaluation.

vector< double >	m_work2

vector< int >	m_mask
	Transient mask.

int	m_ss_jac_age = 20
	Maximum age of the Jacobian in steady-state mode.

int	m_ts_jac_age = 20
	Maximum age of the Jacobian in time-stepping mode.

int	m_attempt_counter = 0
	Counter used to manage the number of states stored in the debug log file generated by writeDebugInfo()

int	m_max_history = 10
	Constant that determines the maximum number of states stored in the debug log file generated by writeDebugInfo()

Func1 *	m_interrupt = nullptr
	Function called at the start of every call to eval.

Func1 *	m_time_step_callback = nullptr
	User-supplied function called after each successful timestep.

int	m_nsteps = 0
	Number of time steps taken in the current call to solve()

int	m_nsteps_max = 500
	Maximum number of timesteps allowed per call to solve()

double	m_jacobianThreshold = 0.0
	Threshold for ignoring small elements in Jacobian.

double	m_jacobianRelPerturb = 1e-5
	Relative perturbation of each component in finite difference Jacobian.

double	m_jacobianAbsPerturb = 1e-10
	Absolute perturbation of each component in finite difference Jacobian.

Private Member Functions
void	finalize ()
	Calls method _finalize in each domain.

Additional Inherited Members
Protected Member Functions inherited from SteadyStateSystem
void	evalSSJacobian (double x, double rsd)
	Evaluate the steady-state Jacobian, accessible via linearSolver()

Constructor & Destructor Documentation

◆ Sim1D() [1/2]

Sim1D ( )

inline

Default constructor.

This constructor is provided to make the class default-constructible, but is not meant to be used in most applications. Use the next constructor

Definition at line 29 of file Sim1D.h.

◆ Sim1D() [2/2]

Sim1D ( vector< shared_ptr< Domain1D > > & domains )

Standard constructor.

Parameters

domains A vector of shared pointers to the domains to be linked together. The domain pointers must be entered in left-to-right order — that is, the pointer to the leftmost domain is domain[0], the pointer to the domain to its right is domain[1], etc.

Definition at line 25 of file Sim1D.cpp.

Member Function Documentation

◆ setInitialGuess()

void setInitialGuess	(	const string &	component,
		vector< double > &	locs,
		vector< double > &	vals
	)

Set initial guess for one component for all domains.

Parameters

component	component name
locs	A vector of relative positions, beginning with 0.0 at the left of the domain, and ending with 1.0 at the right of the domain.
vals	A vector of values corresponding to the relative position locations.

Definition at line 37 of file Sim1D.cpp.

◆ setValue()

void setValue	(	size_t	dom,
		size_t	comp,
		size_t	localPoint,
		double	value
	)

Set a single value in the solution vector.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
localPoint	grid point within the domain, beginning with 0 for the leftmost grid point in the domain.
value	the value.

Definition at line 51 of file Sim1D.cpp.

◆ value()

double value	(	size_t	dom,
		size_t	comp,
		size_t	localPoint
	)		const

Get one entry in the solution vector.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
localPoint	grid point within the domain, beginning with 0 for the leftmost grid point in the domain.

Definition at line 59 of file Sim1D.cpp.

◆ workValue()

double workValue	(	size_t	dom,
		size_t	comp,
		size_t	localPoint
	)		const

Get an entry in the work vector, which may contain either a new system state or the current residual of the system.

Parameters

dom	domain index
comp	component index
localPoint	grid point within the domain

Definition at line 67 of file Sim1D.cpp.

◆ setProfile()

void setProfile	(	size_t	dom,
		size_t	comp,
		const vector< double > &	pos,
		const vector< double > &	values
	)

Specify a profile for one component of one domain.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
pos	A vector of relative positions, beginning with 0.0 at the left of the domain, and ending with 1.0 at the right of the domain.
values	A vector of values corresponding to the relative position locations.

Note that the vector pos and values can have lengths different than the number of grid points, but their lengths must be equal. The values at the grid points will be linearly interpolated based on the (pos, values) specification.

Definition at line 75 of file Sim1D.cpp.

◆ setFlatProfile()

void setFlatProfile	(	size_t	dom,
		size_t	comp,
		double	v
	)

Set component 'comp' of domain 'dom' to value 'v' at all points.

Definition at line 319 of file Sim1D.cpp.

◆ show()

void show ( )

Show logging information on current solution for all domains.

Since: New in Cantera 3.0.

Definition at line 327 of file Sim1D.cpp.

◆ save()

void save	(	const string &	fname,
		const string &	name,
		const string &	desc,
		bool	overwrite = `false`,
		int	compression = `0`,
		const string &	basis = `""`
	)

Save current simulation data to a container file or CSV format.

In order to save the content of a Sim1D object, individual domains are converted to SolutionArray objects and saved using the SolutionArray::save() method. For HDF and YAML output, all domains are written to a single container file with shared header information. Simulation settings of individual domains are preserved as meta data of the corresponding SolutionArray objects. For CSV files, only state and auxiliary data of the main 1D domain are saved.

The complete state of the current object can be restored from HDF and YAML container files using the restore() method, while individual domains can be loaded using SolutionArray::restore() for further analysis. While CSV do not contain complete information, they can still be used for setting initial states of individual simulation objects for some Cantera API's.

Parameters

fname	Name of output file (CSV, YAML or HDF)
name	Identifier of storage location within the container file; this node/group contains header information and multiple subgroups holding domain-specific SolutionArray data (YAML/HDF only)
desc	Custom comment describing the dataset to be stored (YAML/HDF only)
overwrite	Force overwrite if file/name exists; optional (default=false)
compression	Compression level (0-9); optional (default=0; HDF only)
basis	Output mass ("Y"/"mass") or mole ("X"/"mole") fractions; if not specified (default=""), the native basis of the underlying ThermoPhase manager is used -

See also: nativeState (CSV only)

Definition at line 94 of file Sim1D.cpp.

◆ saveResidual()

void saveResidual	(	const string &	fname,
		const string &	name,
		const string &	desc,
		bool	overwrite = `false`,
		int	compression = `0`
	)

Save the residual of the current solution to a container file.

Parameters

fname	Name of output container file
name	Identifier of solution within the container file
desc	Description of the solution
overwrite	Force overwrite if name exists; optional (default=false)
compression	Compression level (optional; HDF only)

Definition at line 143 of file Sim1D.cpp.

◆ restore()

AnyMap restore	(	const string &	fname,
		const string &	name
	)

Retrieve data and settings from a previously saved simulation.

This method restores a simulation object from YAML or HDF data previously saved using the save() method.

Parameters

fname	Name of container file (YAML or HDF)
name	Identifier of location within the container file; this node/group contains header information and subgroups with domain-specific SolutionArray data

Returns: AnyMap containing header information

Definition at line 242 of file Sim1D.cpp.

◆ clearDebugFile()

void clearDebugFile ( )

overridevirtual

Deletes a debug_sim1d.yaml file if it exists.

Used to clear the file for successive calls to the solve() method.

Reimplemented from SteadyStateSystem.

Definition at line 509 of file Sim1D.cpp.

◆ writeDebugInfo()

void writeDebugInfo	(	const string &	header_suffix,
		const string &	message,
		int	loglevel,
		int	attempt_counter
	)

overridevirtual

Write solver debugging information to a YAML file based on the specified log level.

This method writes solver debug information to a specified YAML file (debug_sim1d.yaml). The section headers are formatted according to the provided header_suffix and attempt_counter arguments. Depending on the log level, the method will save either the solution information or the residual information for each attempted solution.

Parameters

header_suffix	Header used to construct a unique section in the YAML file where the information will be written to.
message	A string that is written to the `description` tag in the YAML file.
loglevel	Controls the type of output that will be written. A `loglevel` greater than 6 saves the solution, and a `loglevel` greater than 7 saves the residual additionally.
attempt_counter	An integer counter used to uniquely identify the attempt which is included in the file header to differentiate between multiple solution attempts.

Reimplemented from SteadyStateSystem.

Definition at line 514 of file Sim1D.cpp.

◆ solve()

void solve	(	int	loglevel = `0`,
		bool	refine_grid = `true`
	)

Performs the hybrid Newton steady/time-stepping solution.

The solver attempts to solve the steady-state problem first. If the steady-state solver fails, the time-stepping solver is used to take multiple time steps to move the solution closer to the steady-state solution. The steady-state solver is called again after the timesteps to make further progress towards the steady-state solution. This process is repeated until the steady-state solver converges or the maximum number of timesteps is reached.

At the end of a successful solve, if the refine_grid flag is set, the grid will be analyzed and refined if necessary. If the grid is refined, the solution process described above is repeated with the new grid. This process is repeated until the grid no longer needs refinement based on the refine criteria.

Parameters

loglevel	Controls the amount of diagnostic output.
refine_grid	If `true`, the grid will be refined

Definition at line 374 of file Sim1D.cpp.

◆ eval() [1/3]

void eval	(	double	rdt = `-1.0`,
		int	count = `1`
	)

inline

Definition at line 221 of file Sim1D.h.

◆ getResidual()

void getResidual	(	double	rdt,
		double *	resid
	)

inline

Evaluate the governing equations and return the vector of residuals.

Definition at line 227 of file Sim1D.h.

◆ refine()

int refine ( int loglevel = 0 )

Refine the grid in all domains.

Returns: If positive, the number of new grid points added. If negative, the number of grid points removed. If zero, the grid is unchanged.

Since: Changed in Cantera 3.1. Previously, the return value was zero if points were removed but not added.

Definition at line 422 of file Sim1D.cpp.

◆ setFixedTemperature()

int setFixedTemperature ( double t )

Add node for fixed temperature point of freely propagating flame.

Definition at line 528 of file Sim1D.cpp.

◆ fixedTemperature()

double fixedTemperature ( )

Return temperature at the point used to fix the flame location.

Definition at line 618 of file Sim1D.cpp.

◆ fixedTemperatureLocation()

double fixedTemperatureLocation ( )

Return location of the point where temperature is fixed.

Definition at line 631 of file Sim1D.cpp.

◆ setLeftControlPoint()

void setLeftControlPoint ( double temperature )

Set the left control point location using the specified temperature.

This is used when two-point flame control is active.

The provided temperature will be used to locate the closest grid point to that temperature, which will serve to locate the left control point's coordinate. Starting from the left boundary, the first grid point that is equal to or exceeds the specified temperature will be used to locate the left control point's coordinate.

Definition at line 644 of file Sim1D.cpp.

◆ setRightControlPoint()

void setRightControlPoint ( double temperature )

Set the right control point location using the specified temperature.

This is used when two-point flame control is active.

The provided temperature will be used to locate the closest grid point to that temperature, which will serve to locate the right control point's coordinate. Starting from the right boundary, the first grid point that is equal to or exceeds the specified temperature will be used to locate the right control point's coordinate.

Definition at line 695 of file Sim1D.cpp.

◆ setRefineCriteria()

void setRefineCriteria	(	int	dom = `-1`,
		double	ratio = `10.0`,
		double	slope = `0.8`,
		double	curve = `0.8`,
		double	prune = `-0.1`
	)

Set grid refinement criteria.

If dom >= 0, then the settings apply only to the specified domain. If dom < 0, the settings are applied to each domain.

See also: Refiner::setCriteria.

Definition at line 747 of file Sim1D.cpp.

◆ getRefineCriteria()

vector< double > getRefineCriteria ( int dom )

Get the grid refinement criteria.

dom must be greater than or equal to zero (that is, the domain must be specified).

See also: Refiner::getCriteria

Definition at line 761 of file Sim1D.cpp.

◆ setMaxGridPoints()

void setMaxGridPoints	(	int	dom,
		int	npoints
	)

Set the maximum number of grid points in the domain.

If dom >= 0, then the settings apply only to the specified domain. If dom < 0, the settings are applied to each domain.

See also: Refiner::setMaxPoints.

Definition at line 785 of file Sim1D.cpp.

◆ maxGridPoints()

size_t maxGridPoints ( size_t dom )

Get the maximum number of grid points in this domain.

See also: Refiner::maxPoints

Parameters

dom	domain number, beginning with 0 for the leftmost domain.

Definition at line 798 of file Sim1D.cpp.

◆ setGridMin()

void setGridMin	(	int	dom,
		double	gridmin
	)

Set the minimum grid spacing in the specified domain(s).

Parameters

dom	Domain index. If dom == -1, the specified spacing is applied to all domains.
gridmin	The minimum allowable grid spacing [m]

Definition at line 772 of file Sim1D.cpp.

◆ restoreTimeSteppingSolution()

void restoreTimeSteppingSolution ( )

Set the current solution vector to the last successful time-stepping solution.

This can be used to examine the solver progress after a failed integration.

Definition at line 338 of file Sim1D.cpp.

◆ restoreSteadySolution()

void restoreSteadySolution ( )

Set the current solution vector and grid to the last successful steady- state solution.

This can be used to examine the solver progress after a failure during grid refinement.

Definition at line 347 of file Sim1D.cpp.

◆ getInitialSoln()

void getInitialSoln ( )

Get the initial value of the system state from each domain in the simulation.

Definition at line 360 of file Sim1D.cpp.

◆ jacobian()

double jacobian	(	int	i,
		int	j
	)

Get the Jacobian element \( J_{ij} = \partial f_i / \partial x_j \).

Deprecated:: To be removed after Cantera 3.2.

Definition at line 804 of file Sim1D.cpp.

◆ evalSSJacobian()

void evalSSJacobian ( )

Evaluate the Jacobian in steady-state mode.

Definition at line 810 of file Sim1D.cpp.

◆ solveAdjoint()

void solveAdjoint	(	const double *	b,
		double *	lambda
	)

Solve the equation \( J^T \lambda = b \).

Here, \( J = \partial f/\partial x \) is the Jacobian matrix of the system of equations \( f(x,p)=0 \). This can be used to efficiently solve for the sensitivities of a scalar objective function \( g(x,p) \) to a vector of parameters \( p \) by solving:

\[ J^T \lambda = \left( \frac{\partial g}{\partial x} \right)^T \]

for \( \lambda \) and then computing:

\[ \left.\frac{dg}{dp}\right|_{f=0} = \frac{\partial g}{\partial p} - \lambda^T \frac{\partial f}{\partial p} \]

Definition at line 815 of file Sim1D.cpp.

◆ resize()

void resize ( )

overridevirtual

Call to set the size of internal data structures after first defining the system or if the problem size changes, for example after grid refinement.

The m_size variable should be updated before calling this method

Reimplemented from OneDim.

Definition at line 843 of file Sim1D.cpp.

◆ setSteadyCallback()

void setSteadyCallback ( Func1 * callback )

inline

Set a function that will be called after each successful steady-state solve, before regridding.

Intended to be used for observing solver progress for debugging purposes.

Definition at line 351 of file Sim1D.h.

◆ finalize()

void finalize ( )

private

Calls method _finalize in each domain.

Definition at line 367 of file Sim1D.cpp.

◆ eval() [2/3]

void eval	(	size_t	j,
		double *	x,
		double *	r,
		double	rdt = `-1.0`,
		int	count = `1`
	)

Evaluate the multi-domain residual function.

Parameters

j	if j != npos, only evaluate residual for points j-1, j, and j + 1; otherwise, evaluate at all grid points.
x	solution vector
r	on return, contains the residual vector
rdt	Reciprocal of the time step. if omitted, then the default value is used.
count	Set to zero to omit this call from the statistics

Definition at line 170 of file OneDim.cpp.

◆ eval() [3/3]

void eval	(	double *	x,
		double *	r,
		double	rdt = `-1.0`,
		int	count = `1`
	)

inlineoverridevirtual

Evaluate the residual function.

Parameters

[in]	x	State vector
[out]	r	On return, contains the residual vector
	rdt	Reciprocal of the time step. if omitted, then the internally stored value (accessible using the rdt() method) is used.
	count	Set to zero to omit this call from the statistics

Reimplemented from OneDim.

Definition at line 172 of file OneDim.h.

Member Data Documentation

◆ m_xlast_ss

vector<double> m_xlast_ss

protected

the solution vector after the last successful steady-state solve (stored before grid refinement)

Definition at line 358 of file Sim1D.h.

◆ m_grid_last_ss

vector<vector<double> > m_grid_last_ss

protected

the grids for each domain after the last successful steady-state solve (stored before grid refinement)

Definition at line 362 of file Sim1D.h.

◆ m_steady_callback

Func1* m_steady_callback

protected

User-supplied function called after a successful steady-state solve.

Definition at line 365 of file Sim1D.h.

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

Detailed Description

Public Member Functions

Protected Attributes

Private Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ Sim1D() [1/2]

◆ Sim1D() [2/2]

Member Function Documentation

◆ setInitialGuess()

◆ setValue()

◆ value()

◆ workValue()

◆ setProfile()

◆ setFlatProfile()

◆ show()

◆ save()

◆ saveResidual()

◆ restore()

◆ clearDebugFile()

◆ writeDebugInfo()

◆ solve()

◆ eval() [1/3]

◆ getResidual()

◆ refine()

◆ setFixedTemperature()

◆ fixedTemperature()

◆ fixedTemperatureLocation()

◆ setLeftControlPoint()

◆ setRightControlPoint()

◆ setRefineCriteria()

◆ getRefineCriteria()

◆ setMaxGridPoints()

◆ maxGridPoints()

◆ setGridMin()

◆ restoreTimeSteppingSolution()

◆ restoreSteadySolution()

◆ getInitialSoln()

◆ jacobian()

◆ evalSSJacobian()

◆ solveAdjoint()

◆ resize()

◆ setSteadyCallback()

◆ finalize()

◆ eval() [2/3]

◆ eval() [3/3]

Member Data Documentation

◆ m_xlast_ss

◆ m_grid_last_ss

◆ m_steady_callback