Detailed Description

Chemical equilibrium options.

Used internally by class ChemEquil.

Definition at line 24 of file ChemEquil.h.

Public Attributes
double	relTolerance = 1e-8
	Relative tolerance.
double	absElemTol = 1e-70
	Abs Tol in element number.
int	maxIterations = 1000
	Maximum number of iterations.
int	iterations = 0
	Iteration counter.
bool	enforceTemperatureLimits = false
	Enforce temperature validity limits during equilibrium solver iterations.
bool	warnOnInexactConvergence = true
	Warn when the element potentials cannot be resolved to relTolerance and a reduced-accuracy solution is returned.

Member Data Documentation

◆ relTolerance

double relTolerance = 1e-8

Relative tolerance.

Definition at line 29 of file ChemEquil.h.

◆ absElemTol

double absElemTol = 1e-70

Abs Tol in element number.

Definition at line 30 of file ChemEquil.h.

◆ maxIterations

int maxIterations = 1000

Maximum number of iterations.

Definition at line 31 of file ChemEquil.h.

◆ iterations

int iterations = 0

Iteration counter.

Definition at line 32 of file ChemEquil.h.

◆ enforceTemperatureLimits

bool enforceTemperatureLimits = false

Enforce temperature validity limits during equilibrium solver iterations.

When false, the solver is allowed to extrapolate beyond the nominal temperature range of the thermodynamic fits, and a warning is issued if the converged state is outside that range. Broad numerical bounds are still applied to avoid nonphysical temperatures during iterations.

Definition at line 42 of file ChemEquil.h.

◆ warnOnInexactConvergence

bool warnOnInexactConvergence = true

Warn when the element potentials cannot be resolved to relTolerance and a reduced-accuracy solution is returned.

Should be disabled by callers that respond to such a return by falling back to a different solver, since in that case the reduced-accuracy solution is discarded and there is nothing for the user to act on.

Since: New in Cantera 4.0.

Definition at line 54 of file ChemEquil.h.

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

ChemEquil.h