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EquilOpt Class Reference

Chemical equilibrium options. More...

#include <ChemEquil.h>

Public Attributes

doublereal relTolerance
 Relative tolerance. More...
doublereal absElemTol
 Abs Tol in element number. More...
int maxIterations
 Maximum number of iterations. More...
int iterations
 Iteration counter. More...
doublereal maxStepSize
 Maximum step size. More...
int propertyPair
 Property pair flag. More...
bool contin
 Continuation flag. More...

Detailed Description

Chemical equilibrium options.

Used internally by class ChemEquil.

Definition at line 28 of file ChemEquil.h.

Member Data Documentation

doublereal relTolerance
doublereal absElemTol

Abs Tol in element number.

Definition at line 36 of file ChemEquil.h.

Referenced by ChemEquil::equilibrate(), and ChemEquil::estimateEP_Brinkley().

int maxIterations
int iterations

Iteration counter.

Definition at line 38 of file ChemEquil.h.

Referenced by ChemEquil::equilibrate().

doublereal maxStepSize

Maximum step size.

Largest change in any element potential or in log(T) allowed in one Newton step. Default: 10.0

Definition at line 44 of file ChemEquil.h.

int propertyPair

Property pair flag.

Determines which two thermodynamic properties are fixed.

Definition at line 50 of file ChemEquil.h.

bool contin

Continuation flag.

Set true if the calculation should be initialized from the last calculation. Otherwise, the calculation will be started from scratch and the initial composition and element potentials estimated.

Definition at line 58 of file ChemEquil.h.

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