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[Doc] Capitalize proper nouns and acronyms

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This commit is contained in:
Ray Speth 2015-05-25 17:59:20 -04:00
parent 51c8d7365a
commit 341b137766
127 changed files with 466 additions and 467 deletions
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3
SConstruct
View file

@ -1384,8 +1384,7 @@ if env['use_sundials'] == 'y':
else:
env['sundials_libs'] = []
# Add lapack and blas to the link line
# If there is a special blas and lapack add that in
# Add LAPACK and BLAS to the link line
if env['blas_lapack_libs']:
linkLibs.extend(env['blas_lapack_libs'])
linkSharedLibs.extend(env['blas_lapack_libs'])

2
include/cantera/base/ctexceptions.h
View file

@ -58,7 +58,7 @@ namespace Cantera
//! Enum containing Cantera's behavior for situations where overflow or underflow of real variables
//! may occur.
/*!
* Note this frequently occurs when taking exponentials of delta gibbs energies of reactions
* Note this frequently occurs when taking exponentials of delta Gibbs energies of reactions
* or when taking the exponentials of logs of activity coefficients.
*/
enum CT_RealNumber_Range_Behavior {

6
include/cantera/base/ctml.h
View file

@ -727,7 +727,7 @@ void getNamedStringValue(const Cantera::XML_Node& node, const std::string& nameS
std::string& typeString);
//! This function reads a child node with the name, nameString, and returns
//! its xml value as the return string
//! its XML value as the return string
/*!
* If the child XML_node named "name" doesn't exist, the empty string is returned.
*
@ -783,7 +783,7 @@ void ct2ctml(const char* file, const int debug = 0);
//! Get a string with the ctml representation of a cti file.
/*!
* @param file Path to the input file in CTI format
* @return String containing the xml representation of the input file
* @return String containing the XML representation of the input file
*
* @ingroup inputfiles
*/
@ -792,7 +792,7 @@ std::string ct2ctml_string(const std::string& file);
//! Get a string with the ctml representation of a cti input string.
/*!
* @param cti String containing the cti representation
* @return String containing the xml representation of the input
* @return String containing the XML representation of the input
*
* @ingroup inputfiles
*/

16
include/cantera/base/global.h
View file

@ -85,7 +85,7 @@ void popError();
* Additional directories may be added by calling function addDirectory.
*
* There are two different types of input files within %Cantera:
* - ctml: This is an xml file laid out in such a way that %Cantera can
* - ctml: This is an XML file laid out in such a way that %Cantera can
* interpret the contents. This is the essential input file within
* Cantera, and contains all elements that are involved with simulation,
* error propagation, data support, and versioning.
@ -224,15 +224,15 @@ void close_XML_File(const std::string& file);
*
* @param file_ID This is a concatenation of two strings separated
* by the "#" character. The string before the
* pound character is the file name of an xml
* pound character is the file name of an XML
* file to carry out the search. The string after
* the # character is the ID attribute
* of the xml element to search for.
* of the XML element to search for.
* The string is interpreted as a file string if
* no # character is in the string.
*
* @param root If the file string is empty, searches for the
* xml element with matching ID attribute are
* XML element with matching ID attribute are
* carried out from this XML node.
*
* @return
@ -249,21 +249,21 @@ XML_Node* get_XML_Node(const std::string& file_ID, XML_Node* root);
* XML element name and the ID attribute of the XML element.
* An exact match of both is usually required. However, the
* ID attribute may be set to "", in which case the first
* xml element with the correct element name will be returned.
* XML element with the correct element name will be returned.
*
* @param nameTarget This is the XML element name to look for.
*
* @param file_ID This is a concatenation of two strings separated
* by the "#" character. The string before the
* pound character is the file name of an xml
* pound character is the file name of an XML
* file to carry out the search. The string after
* the # character is the ID attribute
* of the xml element to search for.
* of the XML element to search for.
* The string is interpreted as a file string if
* no # character is in the string.
*
* @param root If the file string is empty, searches for the
* xml element with matching ID attribute are
* XML element with matching ID attribute are
* carried out from this XML node.
*
* @return

28
include/cantera/base/xml.h
View file

@ -156,7 +156,7 @@ public:
*/
XML_Node& addChild(const std::string& sname);
//! Add a child node to the current xml node, and at the
//! Add a child node to the current XML node, and at the
//! same time add a value to the child
/*!
* Resulting XML string:
@ -169,7 +169,7 @@ public:
*/
XML_Node& addChild(const std::string& name, const std::string& value);
//! Add a child node to the current xml node, and at the
//! Add a child node to the current XML node, and at the
//! same time add a formatted value to the child
/*!
* This version supplies a formatting string (printf format)
@ -419,7 +419,7 @@ public:
//! Return an unchangeable reference to the vector of children of the current node
/*!
* Each of the individual XML_Node child pointers, however,
* is to a changeable xml node object.
* is to a changeable XML node object.
*
*/
const std::vector<XML_Node*>& children() const;
@ -434,7 +434,7 @@ public:
//! Boolean function indicating whether a comment
bool isComment() const;
//! Require that the current xml node have an attribute named by the first
//! Require that the current XML node have an attribute named by the first
//! argument, a, and that this attribute have the the string value listed
//! in the second argument, v.
/*!
@ -446,13 +446,13 @@ public:
void _require(const std::string& a, const std::string& v) const;
//! This routine carries out a recursive search for an XML node based
//! on both the xml element name and the attribute ID.
//! on both the XML element name and the attribute ID.
/*!
* If exact matches are found for both fields, the pointer
* to the matching XML Node is returned.
*
* The ID attribute may be defaulted by setting it to "". In this case the
* pointer to the first xml element matching the name only is returned.
* pointer to the first XML element matching the name only is returned.
*
* @param nameTarget Name of the XML Node that is being searched for
* @param idTarget "id" attribute of the XML Node that the routine
@ -468,14 +468,14 @@ public:
const std::string& idTarget) const;
//! This routine carries out a search for an XML node based
//! on both the xml element name and the attribute ID and an integer index.
//! on both the XML element name and the attribute ID and an integer index.
/*!
* If exact matches are found for all fields, the pointer
* to the matching XML Node is returned. The search is only carried out on
* the current element and the child elements of the current element.
*
* The "id" attribute may be defaulted by setting it to "".
* In this case the pointer to the first xml element matching the name
* In this case the pointer to the first XML element matching the name
* only is returned.
*
* @param nameTarget Name of the XML Node that is being searched for
@ -490,13 +490,13 @@ public:
const std::string& idTarget, const int index) const;
//! This routine carries out a recursive search for an XML node based
//! on the xml element attribute, "id"
//! on the XML element attribute, "id"
/*!
* If exact match is found, the pointer
* to the matching XML Node is returned. If not, 0 is returned.
*
* The ID attribute may be defaulted by setting it to "".
* In this case the pointer to the first xml element matching the name
* In this case the pointer to the first XML element matching the name
* only is returned.
*
* @param id "id" attribute of the XML Node that the routine
@ -588,7 +588,7 @@ public:
*/
XML_Node& child(const std::string& loc) const;
//! Write the header to the xml file to the specified ostream
//! Write the header to the XML file to the specified ostream
/*!
* @param s ostream to write the output to
*/
@ -664,7 +664,7 @@ private:
/*!
* This is the main recursive routine. It doesn't put a final endl
* on. This is fixed up in the public method. A method to only write out a limited
* amount of the xml tree has been added.
* amount of the XML tree has been added.
*
* @param s ostream to write to
* @param level Indentation level to work from
@ -685,10 +685,10 @@ protected:
*/
std::string m_name;
//! Value of the xml node
//! Value of the XML node
/*!
* This is the string contents of the XML node. For
* example. The xml node named eps:
* example. The XML node named eps:
*
* <eps>
* valueString

10
include/cantera/equil/ChemEquil.h
View file

@ -132,7 +132,7 @@ public:
* @param loglevel Specify amount of debug logging (0 to disable)
* @return Successful returns are indicated by a return value of 0.
* Unsuccessful returns are indicated by a return value of -1 for lack
* of convergence or -3 for a singular jacobian.
* of convergence or -3 for a singular Jacobian.
*/
int equilibrate(thermo_t& s, const char* XY, vector_fp& elMoles,
bool useThermoPhaseElementPotentials = false, int loglevel = 0);
@ -195,7 +195,7 @@ protected:
*
* We have found that the previous estimate may not be good enough to
* avoid drastic numerical issues associated with the use of a numerically
* generated jacobian used in the main algorithm.
* generated Jacobian used in the main algorithm.
*
* The Brinkley algorithm, here, assumes a constant T, P system and uses a
* linearized analytical Jacobian that turns out to be very stable even
@ -211,14 +211,14 @@ protected:
*
* Nonideal phases are handled in principle. This is done by calculating
* the activity coefficients and adding them into the formula in the
* correct position. However, these are treated as a rhs contribution
* correct position. However, these are treated as a RHS contribution
* only. Therefore, convergence might be a problem. This has not been
* tested. Also molality based unit systems aren't handled.
*
* On return, int return value contains the success code:
* - 0 - successful
* - 1 - unsuccessful, max num iterations exceeded
* - -3 - unsuccessful, singular jacobian
* - -3 - unsuccessful, singular Jacobian
*
* NOTE: update for activity coefficients.
*/
@ -325,7 +325,7 @@ protected:
vector_fp m_mu_RT;
/**
* Dimensionless values of the gibbs free energy for the
* Dimensionless values of the Gibbs free energy for the
* standard state of each species, at the temperature and
* pressure of the solution (the star standard state).
*/

2
include/cantera/equil/vcs_MultiPhaseEquil.h
View file

@ -171,7 +171,7 @@ namespace VCSnonideal
* @param mphase MultiPhase object that is the source for all of the information
* @param vprob VCS_PROB problem definition that gets all of the information
*
* Note, both objects share the underlying Thermophase objects. So, neither
* Note, both objects share the underlying ThermoPhase objects. So, neither
* can be const objects.
*/
int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase,

12
include/cantera/equil/vcs_VolPhase.h
View file

@ -211,7 +211,7 @@ public:
* The results are held internally within the object.
*
* @param kspec Species number (within the phase)
* @return Gstar[kspec] returns the gibbs free energy for the
* @return Gstar[kspec] returns the Gibbs free energy for the
* standard state of the kth species.
*/
double GStar_calc_one(size_t kspec) const;
@ -220,7 +220,7 @@ public:
//! of a species, return a value for one species
/*!
* @param kspec species index
* @return return value of the gibbs free energy
* @return return value of the Gibbs free energy
*/
double G0_calc_one(size_t kspec) const;
@ -274,12 +274,12 @@ public:
*/
void setState_T(const double temperature_Kelvin);
// Downloads the ln ActCoeff jacobian into the VCS version of the
// ln ActCoeff jacobian.
// Downloads the ln ActCoeff Jacobian into the VCS version of the
// ln ActCoeff Jacobian.
/*
* This is essentially a scatter operation.
*
* @param LnAcJac_VCS jacobian parameter
* @param LnAcJac_VCS Jacobian parameter
* The Jacobians are actually d( lnActCoeff) / d (MolNumber);
* dLnActCoeffdMolNumber(k,j)
*
@ -486,7 +486,7 @@ public:
* Also decide whether we need a new charge neutrality element in the
* phase to enforce a charge neutrality constraint.
*
* @param tPhase Pointer to the thermophase object
* @param tPhase Pointer to the ThermoPhase object
*/
size_t transferElementsFM(const Cantera::ThermoPhase* const tPhase);

4
include/cantera/equil/vcs_solve.h
View file

@ -666,7 +666,7 @@ public:
* The actual problem statement is assumed to be in the structure
* already. This is a wrapper around the solve_TP() function. In this
* wrapper, we nondimensionalize the system we calculate the standard
* state gibbs free energies of the species, and we decide whether to we
* state Gibbs free energies of the species, and we decide whether to we
* need to use the initial guess algorithm.
*
* @param ipr = 1 -> Print results to standard output;
@ -1305,7 +1305,7 @@ private:
double vcs_minor_alt_calc(size_t kspec, size_t irxn, bool* do_delete,
char* ANOTE=0) const;
//! This routine optimizes the minimization of the total gibbs free energy
//! This routine optimizes the minimization of the total Gibbs free energy
//! by making sure the slope of the following functional stays negative:
/*!
* The slope of the following functional is equivalent to the slope

2
include/cantera/kinetics/ElectrodeKinetics.h
View file

@ -37,7 +37,7 @@ public:
* @param thermo The optional parameter may be used to initialize
* the object with one ThermoPhase object.
* HKM Note -> Since the interface kinetics
* object will probably require multiple thermophase
* object will probably require multiple ThermoPhase
* objects, this is probably not a good idea
* to have this parameter.
*/

2
include/cantera/kinetics/ImplicitSurfChem.h
View file

@ -245,7 +245,7 @@ protected:
size_t m_numTotalSpecies;
std::vector<vector_int> pLocVec;
//! Pointer to the cvode integrator
//! Pointer to the CVODE integrator
Integrator* m_integ;
doublereal m_atol, m_rtol; // tolerances
doublereal m_maxstep; //!< max step size

14
include/cantera/kinetics/InterfaceKinetics.h
View file

@ -93,7 +93,7 @@ public:
* @param thermo The optional parameter may be used to initialize
* the object with one ThermoPhase object.
* HKM Note -> Since the interface kinetics
* object will probably require multiple thermophase
* object will probably require multiple ThermoPhase
* objects, this is probably not a good idea
* to have this parameter.
*/
@ -135,7 +135,7 @@ public:
*/
void updateExchangeCurrentQuantities();
//! Return the vector of values for the reaction gibbs free energy change.
//! Return the vector of values for the reaction Gibbs free energy change.
/*!
* (virtual from Kinetics.h)
* These values depend upon the concentration of the solution.
@ -330,7 +330,7 @@ public:
* kmoles/m2/s.
*
* For a reaction rate constant that was given in units of kmol/m2/sec when the
* reaction type is a butler-volmer form, convert it to exchange current density
* reaction type is a Butler-Volmer form, convert it to exchange current density
* form (amps/m2).
*
* @param kfwd Vector of forward reaction rate constants, given in either
@ -553,7 +553,7 @@ protected:
*/
std::vector<size_t> m_ctrxn;
//! Vector of Reactions which follow the butler volmer methodology for specifying the
//! Vector of Reactions which follow the Butler-Volmer methodology for specifying the
//! exchange current density first. Then, the other forms are specified based on this form.
/*!
* Length is equal to the number of reactions with charge transfer coefficients, m_ctrxn[]
@ -605,14 +605,14 @@ protected:
*/
vector_fp m_StandardConc;
//! Vector of delta G^0, the standard state gibbs free energies for each reaction
//! Vector of delta G^0, the standard state Gibbs free energies for each reaction
/*!
* Length is the number of reactions
* units are Joule kmol-1
*/
vector_fp m_deltaG0;
//! Vector of deltaG[] of reaction, the delta gibbs free energies for each reaction
//! Vector of deltaG[] of reaction, the delta Gibbs free energies for each reaction
/*!
* Length is the number of reactions
* units are Joule kmol-1
@ -661,7 +661,7 @@ protected:
//! Boolean flag indicating whether any reaction in the mechanism
//! is described by an exchange current density expression
/*!
* If this is true, the standard state gibbs free energy of the reaction
* If this is true, the standard state Gibbs free energy of the reaction
* and the product of the reactant standard concentrations must be
* precalculated in order to calculate the rate constant.
*/

6
include/cantera/kinetics/Kinetics.h
View file

@ -474,7 +474,7 @@ public:
*/
virtual void getRevReactionDelta(const doublereal* g, doublereal* dg);
//! Return the vector of values for the reaction gibbs free energy change.
//! Return the vector of values for the reaction Gibbs free energy change.
/*!
* (virtual from Kinetics.h)
* These values depend upon the concentration of the solution.
@ -527,7 +527,7 @@ public:
/**
* Return the vector of values for the reaction standard state
* gibbs free energy change. These values don't depend upon
* Gibbs free energy change. These values don't depend upon
* the concentration of the solution.
*
* units = J kmol-1
@ -1063,7 +1063,7 @@ protected:
std::vector<size_t> m_start;
/**
* Mapping of the phase id, i.e., the id attribute in the xml
* Mapping of the phase id, i.e., the id attribute in the XML
* phase element to the position of the phase within the
* kinetics object. Positions start with the value of 1. The
* member function, phaseIndex() decrements by one before

4
include/cantera/kinetics/KineticsFactory.h
View file

@ -51,8 +51,8 @@ public:
* progress of the reactions and for calculating the source terms for
* species.
*
* @param phase An XML_Node that contains the xml data describing the
* phase. Of particular note to this routine is the child xml
* @param phase An XML_Node that contains the XML data describing the
* phase. Of particular note to this routine is the child XML
* element called "kinetics". The element has one attribute
* called "model", with a string value. The value of this
* string is used to decide which kinetics manager is used to

4
include/cantera/kinetics/StoichManager.h
View file

@ -110,8 +110,8 @@ namespace Cantera
*
* The functions incrementReaction() and decrementReaction() are used to find
* the standard state equilibrium constant for a reaction. Here, output[] is a
* vector of length number of reactions, usually the standard gibbs free
* energies of reaction, while input, usually the standard state gibbs free
* vector of length number of reactions, usually the standard Gibbs free
* energies of reaction, while input, usually the standard state Gibbs free
* energies of species, is a vector of length number of species.
*
* Note the stoichiometric coefficient for a species in a reaction is handled

10
include/cantera/kinetics/importKinetics.h
View file

@ -69,7 +69,7 @@ void checkRxnElementBalance(Kinetics& kin,
* the spnum, stoich, and order vectors. The length of the vectors is the
* number of different types of reactants or products found for the reaction.
*
* @param[in] rxn xml node pointing to the reaction element in the xml tree.
* @param[in] rxn XML node pointing to the reaction element in the XML tree.
* @param[in] kin Reference to the kinetics object to install the information
* into.
* @param[in] rp 1 -> Go get the reactants for a reaction; -1 -> Go get the
@ -94,7 +94,7 @@ bool getReagents(const XML_Node& rxn, Kinetics& kin, int rp, std::string default
//! Read the rate coefficient data from the XML file.
/*!
* Extract the rate coefficient for a reaction from the xml node, kf.
* Extract the rate coefficient for a reaction from the XML node, kf.
* kf should point to a XML element named "rateCoeff".
* rdata is the partially filled ReactionData object for the reaction.
* This function will fill in more fields in the ReactionData object.
@ -116,9 +116,9 @@ void getRateCoefficient(const XML_Node& kf, Kinetics& kin, ReactionData& rdata,
//! Install information about reactions into the kinetics object, kin.
/*!
* At this point, parent usually refers to the phase xml element.
* At this point, parent usually refers to the phase XML element.
* One of the children of this element is reactionArray,
* the element which determines where in the xml file to
* the element which determines where in the XML file to
* look up the reaction rate data.
*
* @param p parent XML phase element
@ -148,7 +148,7 @@ bool installReactionArrays(const XML_Node& p, Kinetics& kin,
* argument. The vector of ThermoPhase objects should consist of pointers to
* phases I, A, and B.
*
* @param phase This is an xml node containing a description of the owning
* @param phase This is an XML node containing a description of the owning
* phase for the kinetics object. Within the phase is a XML
* element called reactionArray containing the location of the
* description of the reactions that make up the kinetics object.

4
include/cantera/kinetics/solveSP.h
View file

@ -31,7 +31,7 @@ const int SFLUX_INITIALIZE = 1;
const int SFLUX_RESIDUAL = 2;
//! Calculation of the surface problem is due to the need for a numerical
//! jacobian for the gas-problem. The solution is expected to be very close to
//! Jacobian for the gas-problem. The solution is expected to be very close to
//! the initial guess, and accuracy is needed because solution variables have
//! been perturbed from nominal values to create Jacobian entries.
const int SFLUX_JACOBIAN = 3;
@ -303,7 +303,7 @@ private:
* @param resid output Vector of residuals, length = m_neq
* @param CSolnSP Vector of species concentrations, unknowns in the
* problem, length = m_neq. These are tweaked in order
* to derive the columns of the jacobian.
* to derive the columns of the Jacobian.
* @param CSolnSPOld Old Vector of species concentrations, unknowns in the
* problem, length = m_neq
* @param do_time Calculate a time dependent residual

18
include/cantera/numerics/BEulerInt.h
View file

@ -57,7 +57,7 @@ class BEulerInt : public Integrator
{
public:
/*!
* Constructor. Default settings: dense jacobian, no user-supplied
* Constructor. Default settings: dense Jacobian, no user-supplied
* Jacobian function, Newton iteration.
*/
BEulerInt();
@ -118,7 +118,7 @@ public:
* @param printSolnFirstSteps The solution is printed out the first
* "printSolnFirstSteps" steps. After these steps the
* other parameters determine the printing. default = 0
* @param dumpJacobians Dump jacobians to disk.
* @param dumpJacobians Dump Jacobians to disk.
*/
virtual void setPrintSolnOptions(int printSolnStepInterval,
int printSolnNumberToTout,
@ -155,7 +155,7 @@ public:
* residual at the current time step.
* @param J = Jacobian matrix to be filled in
* @param f = Right hand side. This routine returns the current
* value of the rhs (output), so that it does
* value of the RHS (output), so that it does
* not have to be computed again.
*/
void beuler_jac(GeneralMatrix& J, double* const f,
@ -307,7 +307,7 @@ protected:
* @param CJ Inverse of the time step
* @param time_curr Current value of the time
* @param jac Jacobian
* @param num_newt_its number of newton iterations
* @param num_newt_its number of Newton iterations
* @param num_linear_solves number of linear solves
* @param num_backtracks number of backtracs
* @param loglevel Log level
@ -351,8 +351,8 @@ protected:
* couldn't possibly be representative if the
* variable is changed by a lot. (true for
* nonlinear systems, false for linear systems)
* Maximum increase in variable in any one newton iteration: factor of 2
* Maximum decrease in variable in any one newton iteration: factor of 5
* Maximum increase in variable in any one Newton iteration: factor of 2
* Maximum decrease in variable in any one Newton iteration: factor of 5
*
* @param y Current value of the solution
* @param step0 Current raw step change in y[]
@ -416,7 +416,7 @@ protected:
bool m_colScaling;
/**
* m_matrixConditioning is a boolean. If true, then the
* Jacobian and every rhs is multiplied by the inverse
* Jacobian and every RHS is multiplied by the inverse
* of a matrix that is suppose to reduce the condition
* number of the matrix. This is done before row scaling.
*/
@ -532,7 +532,7 @@ protected:
vector_fp m_rowScales;
vector_fp m_colScales;
//! Pointer to the jacobian representing the time dependent problem
//! Pointer to the Jacobian representing the time dependent problem
GeneralMatrix* tdjac_ptr;
/**
@ -558,7 +558,7 @@ protected:
*/
int m_nJacEval;
//! Number of total newton iterations
//! Number of total Newton iterations
int m_numTotalNewtIts;
//! Total number of linear iterations

8
include/cantera/numerics/BandMatrix.h
View file

@ -170,7 +170,7 @@ public:
//! Solve the matrix problem Ax = b
/*!
* @param b INPUT rhs of the problem
* @param b INPUT RHS of the problem
* @param x OUTPUT solution to the problem
*
* @return Return a success flag
@ -181,7 +181,7 @@ public:
//! Solve the matrix problem Ax = b
/*!
* @param b INPUT rhs of the problem
* @param b INPUT RHS of the problem
* OUTPUT solution to the problem
* @param nrhs Number of right hand sides to solve
* @param ldb Leading dimension of `b`. Default is nColumns()
@ -278,7 +278,7 @@ public:
*/
virtual void copyData(const GeneralMatrix& y);
//! Check to see if we have any zero rows in the jacobian
//! Check to see if we have any zero rows in the Jacobian
/*!
* This utility routine checks to see if any rows are zero.
* The smallest row is returned along with the largest coefficient in that row
@ -289,7 +289,7 @@ public:
*/
virtual size_t checkRows(doublereal& valueSmall) const;
//! Check to see if we have any zero columns in the jacobian
//! Check to see if we have any zero columns in the Jacobian
/*!
* This utility routine checks to see if any columns are zero.
* The smallest column is returned along with the largest coefficient in that column

2
include/cantera/numerics/CVodesIntegrator.h
View file

@ -37,7 +37,7 @@ class CVodesIntegrator : public Integrator
{
public:
/**
* Constructor. Default settings: dense jacobian, no user-supplied
* Constructor. Default settings: dense Jacobian, no user-supplied
* Jacobian function, Newton iteration.
*/
CVodesIntegrator();

6
include/cantera/numerics/DenseMatrix.h
View file

@ -110,7 +110,7 @@ public:
//! Return a const vector of const pointers to the columns
/*!
* Note, the jacobian can not be altered by this routine, and
* Note, the Jacobian can not be altered by this routine, and
* therefore the member function is const.
*
* @return returns a vector of pointers to the top of the columns
@ -196,7 +196,7 @@ public:
* The system is then solved using the LAPACK routine dgetrs
*
* @param A Dense matrix to be factored
* @param b rhs(s) to be solved.
* @param b RHS(s) to be solved.
* @param nrhs Number of right hand sides to solve
* @param ldb Leading dimension of b, if nrhs > 1
*/
@ -205,7 +205,7 @@ int solve(DenseMatrix& A, double* b, size_t nrhs=1, size_t ldb=0);
//! Solve Ax = b for multiple right-hand-side vectors.
/*!
* @param A Dense matrix to be factored
* @param b Dense matrix of rhs's. Each column is a rhs
* @param b Dense matrix of RHS's. Each column is a RHS
*/
int solve(DenseMatrix& A, DenseMatrix& b);

8
include/cantera/numerics/GeneralMatrix.h
View file

@ -76,7 +76,7 @@ public:
/*!
* we set m_factored to 2 to indicate the matrix is now QR factored
*
* @return Returns the info variable from lapack
* @return Returns the info variable from LAPACK
*/
virtual int factorQR() {
throw NotImplementedError("GeneralMatrix::factorQR");
@ -136,7 +136,7 @@ public:
//! Solves the Ax = b system returning x in the b spot.
/*!
* @param b Vector for the rhs of the equation system
* @param b Vector for the RHS of the equation system
* @param nrhs Number of right-hand sides to solve, default 1
* @param ldb Leading dimension of the right-hand side array.
* Defaults to nRows()
@ -204,7 +204,7 @@ public:
*/
virtual doublereal* const* colPts() = 0;
//! Check to see if we have any zero rows in the jacobian
//! Check to see if we have any zero rows in the Jacobian
/*!
* This utility routine checks to see if any rows are zero.
* The smallest row is returned along with the largest coefficient in that row
@ -215,7 +215,7 @@ public:
*/
virtual size_t checkRows(doublereal& valueSmall) const = 0;
//! Check to see if we have any zero columns in the jacobian
//! Check to see if we have any zero columns in the Jacobian
/*!
* This utility routine checks to see if any columns are zero.
* The smallest column is returned along with the largest coefficient in that column

20
include/cantera/numerics/IDA_Solver.h
View file

@ -14,7 +14,7 @@
#include "sundials/sundials_nvector.h"
// These constants are defined internally in the ida package, ida.c
// These constants are defined internally in the IDA package, ida.c
#define IDA_NN 0
#define IDA_SS 1
#define IDA_SV 2
@ -43,7 +43,7 @@ public:
//! Constructor.
/*!
* Default settings: dense jacobian, no user-supplied Jacobian function, Newton iteration.
* Default settings: dense Jacobian, no user-supplied Jacobian function, Newton iteration.
*
* @param f Function that will supply the time dependent residual to be solved
*/
@ -95,13 +95,13 @@ public:
virtual double getCurrentStepFromIDA();
//! Set the form of the jacobian
//! Set the form of the Jacobian
/*!
*
* @param formJac Form of the jacobian
* @param formJac Form of the Jacobian
*
* 0 numerical jacobian
* 1 analytical jacobian given by the evalJacobianDP() function
* 0 numerical Jacobian
* 1 analytical Jacobian given by the evalJacobianDP() function
*/
virtual void setJacobianType(int formJac);
@ -261,12 +261,12 @@ protected:
//! maximum time step order of the method
int m_maxord;
//! Form of the jacobian
//! Form of the Jacobian
/*!
* 0 numerical jacobian created by ida
* 1 analytical jacobian. Must have populated the evalJacobianDP()
* 0 numerical Jacobian created by IDA
* 1 analytical Jacobian. Must have populated the evalJacobianDP()
* function in the ResidJacEval class.
* 2 numerical jacobian formed by the ResidJacEval class (unimplemented)
* 2 numerical Jacobian formed by the ResidJacEval class (unimplemented)
*/
int m_formJac;

80
include/cantera/numerics/NonlinearSolver.h
View file

@ -53,9 +53,9 @@ namespace Cantera
#define NSOLN_RETN_FAIL_STEPTOOSMALL -1
//! The nonlinear problem didn't solve the problem
#define NSOLN_RETN_FAIL_DAMPSTEP -2
//! The nonlinear problem's jacobian is singular
//! The nonlinear problem's Jacobian is singular
#define NSOLN_RETN_MATRIXINVERSIONERROR -3
//! The nonlinear problem's jacobian formation produced an error
//! The nonlinear problem's Jacobian formation produced an error
#define NSOLN_RETN_JACOBIANFORMATIONERROR -4
//! The nonlinear problem's base residual produced an error
#define NSOLN_RETN_RESIDUALFORMATIONERROR -5
@ -66,9 +66,9 @@ namespace Cantera
//@{
/// @name Constant which determines the type of the Jacobian
//! The jacobian will be calculated from a numerical method
//! The Jacobian will be calculated from a numerical method
#define NSOLN_JAC_NUM 1
//! The jacobian is calculated from an analytical function
//! The Jacobian is calculated from an analytical function
#define NSOLN_JAC_ANAL 2
//@}
@ -128,7 +128,7 @@ class NonlinearSolver
public:
//! Default constructor
/*!
* @param func Residual and jacobian evaluator function object
* @param func Residual and Jacobian evaluator function object
*/
NonlinearSolver(ResidJacEval* func);
@ -216,9 +216,9 @@ public:
* current values of the solution vector, m_y_n, and the solution time
* derivative, m_ydot_n. The Jacobian is not recomputed.
*
* A factored jacobian is reused, if available. If a factored jacobian
* is not available, then the jacobian is factored. Before factoring,
* the jacobian is row and column-scaled. Column scaling is not
* A factored Jacobian is reused, if available. If a factored Jacobian
* is not available, then the Jacobian is factored. Before factoring,
* the Jacobian is row and column-scaled. Column scaling is not
* recomputed. The row scales are recomputed here, after column
* scaling has been implemented.
*
@ -228,14 +228,14 @@ public:
* @param delta_y return value of the raw change in y
* @param jac Jacobian
*
* @return Returns the result code from lapack. A zero means success.
* @return Returns the result code from LAPACK. A zero means success.
* Anything else indicates a failure.
*/
int doNewtonSolve(const doublereal time_curr, const doublereal* const y_curr,
const doublereal* const ydot_curr, doublereal* const delta_y,
GeneralMatrix& jac);
//! Compute the newton step, either by direct newton's or by solving a
//! Compute the Newton step, either by direct Newton's or by solving a
//! close problem that is represented by a Hessian
/*!
* This is algorith A.6.5.1 in Dennis / Schnabel
@ -247,9 +247,9 @@ public:
* solution vector, m_y_n, and the solution time derivative, m_ydot_n.
* The Jacobian is not recomputed.
*
* A factored jacobian is reused, if available. If a factored jacobian
* is not available, then the jacobian is factored. Before factoring,
* the jacobian is row and column-scaled. Column scaling is not
* A factored Jacobian is reused, if available. If a factored Jacobian
* is not available, then the Jacobian is factored. Before factoring,
* the Jacobian is row and column-scaled. Column scaling is not
* recomputed. The row scales are recomputed here, after column
* scaling has been implemented.
*
@ -262,7 +262,7 @@ public:
* ---------------
* internal m_resid Stored residual is used as input
*
* @return Returns the result code from lapack. A zero means success. Anything
* @return Returns the result code from LAPACK. A zero means success. Anything
* else indicates a failure.
*/
int doAffineNewtonSolve(const doublereal* const y_curr, const doublereal* const ydot_curr,
@ -349,9 +349,9 @@ public:
* couldn't possibly be representative if the
* variable is changed by a lot. (true for
* nonlinear systems, false for linear systems)
* Maximum increase in variable in any one newton iteration:
* Maximum increase in variable in any one Newton iteration:
* factor of 2
* Maximum decrease in variable in any one newton iteration:
* Maximum decrease in variable in any one Newton iteration:
* factor of 5
*
* @param y Current solution value of the old step
@ -386,18 +386,18 @@ public:
*/
void calc_ydot(const int order, const doublereal* const y_curr, doublereal* const ydot_curr) const;
//! Function called to evaluate the jacobian matrix and the current
//! Function called to evaluate the Jacobian matrix and the current
//! residual vector at the current time step
/*!
* @param J Jacobian matrix to be filled in
* @param f Right hand side. This routine returns the current
* value of the rhs (output), so that it does
* value of the RHS (output), so that it does
* not have to be computed again.
* @param time_curr Current time
* @param CJ inverse of the value of deltaT
* @param y value of the solution vector
* @param ydot value of the time derivative of the solution vector
* @param num_newt_its Number of newton iterations
* @param num_newt_its Number of Newton iterations
*
* @return Returns a flag to indicate that operation is successful.
* 1 Means a successful operation
@ -429,12 +429,12 @@ public:
doublereal* const ydot_current);
//! Return the factor by which the undamped Newton step 'step0'
//! must be multiplied in order to keep the update within the bounds of an accurate jacobian.
//! must be multiplied in order to keep the update within the bounds of an accurate Jacobian.
/*!
* The idea behind these is that the Jacobian couldn't possibly be representative, if the
* variable is changed by a lot. (true for nonlinear systems, false for linear systems)
* Maximum increase in variable in any one newton iteration: factor of 1.5
* Maximum decrease in variable in any one newton iteration: factor of 2
* Maximum increase in variable in any one Newton iteration: factor of 1.5
* Maximum decrease in variable in any one Newton iteration: factor of 2
*
* @param y Initial value of the solution vector
* @param step0 initial proposed step size
@ -501,8 +501,8 @@ public:
* converged value of the solution derivative.
* @param CJ Inverse of the value of deltaT
* @param time_curr Current value of the time
* @param jac Matrix that will be used to store the jacobian
* @param num_newt_its Number of newton iterations taken
* @param jac Matrix that will be used to store the Jacobian
* @param num_newt_its Number of Newton iterations taken
* @param num_linear_solves Number of linear solves taken
* @param num_backtracks Number of backtracking steps taken
* @param loglevelInput Input log level determines the amount of printing.
@ -679,9 +679,9 @@ public:
*/
void setResidualTols(double residRtol, double* residAtol, int residNormHandling = 2);
//! Set the value of the maximum # of newton iterations
//! Set the value of the maximum # of Newton iterations
/*!
* @param maxNewtIts Maximum number of newton iterations
* @param maxNewtIts Maximum number of Newton iterations
*/
void setMaxNewtIts(const int maxNewtIts);
@ -716,7 +716,7 @@ public:
*
* The theoretical linearized residual decline
* The actual residual decline in the steepest descent direction determined by numerical differencing
* The actual residual decline in the newton direction determined by numerical differencing
* The actual residual decline in the Newton direction determined by numerical differencing
*
* This routine doesn't need to be called for the solution of the nonlinear problem.
*
@ -785,7 +785,7 @@ public:
* @param ydot_n_1 INPUT First trial value of the derivative of the solution vector
* @param stepNorm_1 OUTPUT Norm of the vector step_1
* @param stepNorm_2 OUTPUT Estimated norm of the vector step_2
* @param jac INPUT jacobian
* @param jac INPUT Jacobian
* @param num_backtracks OUTPUT number of backtracks taken in the current damping step
*
* @return 1 Successful step was taken. The predicted residual norm is less than one
@ -840,7 +840,7 @@ public:
* @param alpha Relative distance along the particular curve.
*
* @return Returns the expected value of the residual at that point according to the quadratic model.
* The residual at the newton point will always be zero.
* The residual at the Newton point will always be zero.
*/
doublereal expectedResidLeg(int leg, doublereal alpha) const;
@ -891,7 +891,7 @@ public:
*/
private:
//! Pointer to the residual and jacobian evaluator for the
//! Pointer to the residual and Jacobian evaluator for the
//! function
/*!
* See ResidJacEval.h for an evaluator.
@ -944,13 +944,13 @@ private:
//! Weights for normalizing the values of the residuals
/*!
* These are computed if row scaling, m_rowScaling, is turned on. They are calculated currently as the
* sum of the absolute values of the rows of the jacobian.
* sum of the absolute values of the rows of the Jacobian.
*/
std::vector<doublereal> m_rowScales;
//! Weights for normalizing the values of the residuals
/*!
* They are calculated as the sum of the absolute values of the jacobian
* They are calculated as the sum of the absolute values of the Jacobian
* multiplied by the solution weight function.
* This is carried out in scaleMatrix().
*/
@ -989,7 +989,7 @@ private:
//! Norm of the solution update created by the iteration in its raw, undamped form, using the solution norm
doublereal m_normDeltaSoln_Newton;
//! Norm of the distance to the cauchy point using the solution norm
//! Norm of the distance to the Cauchy point using the solution norm
doublereal m_normDeltaSoln_CP;
//! Norm of the residual for a trial calculation which may or may not be used
@ -1044,15 +1044,15 @@ private:
//! Number of local linear solves done during the current iteration
int m_numLocalLinearSolves;
//! Total number of newton iterations
//! Total number of Newton iterations
int m_numTotalNewtIts;
public:
//! Minimum number of newton iterations to use
//! Minimum number of Newton iterations to use
int m_min_newt_its;
private:
//! Maximum number of newton iterations
//! Maximum number of Newton iterations
int maxNewtIts_;
//! Jacobian formation method
@ -1123,9 +1123,9 @@ private:
//! Scale factor for turning residual norms into solution norms
doublereal m_ScaleSolnNormToResNorm;
//! Copy of the jacobian that doesn't get overwritten when the inverse is determined
//! Copy of the Jacobian that doesn't get overwritten when the inverse is determined
/*!
* The jacobian stored here is the raw matrix, before any row or column scaling is carried out
* The Jacobian stored here is the raw matrix, before any row or column scaling is carried out
*/
Cantera::GeneralMatrix* jacCopyPtr_;
@ -1139,7 +1139,7 @@ private:
//! Steepest descent direction. This is also the distance to the Cauchy Point
std::vector<doublereal> deltaX_CP_;
//! Newton Step - This is the newton step determined from the straight Jacobian
//! Newton Step - This is the Newton step determined from the straight Jacobian
/*
* Newton step for the current step only
*/
@ -1246,7 +1246,7 @@ private:
//! Expected DResid_dS for the Newton path - output variable
doublereal ResidDecreaseNewtExp_;
//! Actual DResid_dS for the newton path - output variable
//! Actual DResid_dS for the Newton path - output variable
doublereal ResidDecreaseNewt_;
/*******************************************************************************************

18
include/cantera/numerics/ResidJacEval.h
View file

@ -86,7 +86,7 @@ public:
* @param resid Value of the residual that is computed (output)
* @param evalType Type of the residual being computed (defaults to Base_ResidEval)
* @param id_x Index of the variable that is being numerically differenced to find
* the jacobian (defaults to -1, which indicates that no variable is being
* the Jacobian (defaults to -1, which indicates that no variable is being
* differenced or that the residual doesn't take this issue into account)
* @param delta_x Value of the delta used in the numerical differencing
*
@ -186,7 +186,7 @@ public:
* @param t Time (input)
* @param y Solution vector (input, do not modify)
* @param ydot Rate of change of solution vector. (input, do not modify)
* @param delta_y Value of the delta to be used in calculating the numerical jacobian
* @param delta_y Value of the delta to be used in calculating the numerical Jacobian
* @param solnWeights Value of the solution weights that are used in determining convergence (default = 0)
*
* @return Returns a flag to indicate that operation is successful.
@ -245,7 +245,7 @@ public:
//! Multiply the matrix by another matrix that leads to better conditioning
/*!
* Provide a left sided matrix that will multiply the current jacobian, after scaling
* Provide a left sided matrix that will multiply the current Jacobian, after scaling
* and lead to a better conditioned system.
* This routine is called just before the matrix is factored.
*
@ -255,9 +255,9 @@ public:
* New problem:
* M (J delta_x) = - M Resid
*
* @param matrix Pointer to the current jacobian (if zero, it's already been factored)
* @param matrix Pointer to the current Jacobian (if zero, it's already been factored)
* @param nrows offsets for the matrix
* @param rhs residual vector. This also needs to be lhs multiplied by M
* @param rhs residual vector. This also needs to be LHS multiplied by M
*
* @return Returns a flag to indicate that operation is successful.
* 1 Means a successful operation
@ -266,13 +266,13 @@ public:
virtual int matrixConditioning(doublereal* const matrix, const int nrows,
doublereal* const rhs);
//! Calculate an analytical jacobian and the residual at the current time and values.
//! Calculate an analytical Jacobian and the residual at the current time and values.
/*!
* Only called if the jacFormation method is set to analytical
*
* @param t Time (input)
* @param delta_t The current value of the time step (input)
* @param cj Coefficient of yprime used in the evaluation of the jacobian
* @param cj Coefficient of yprime used in the evaluation of the Jacobian
* @param y Solution vector (input, do not modify)
* @param ydot Rate of change of solution vector. (input, do not modify)
* @param J Reference to the SquareMatrix object to be calculated (output)
@ -286,13 +286,13 @@ public:
const doublereal* const y, const doublereal* const ydot,
GeneralMatrix& J, doublereal* const resid);
//! Calculate an analytical jacobian and the residual at the current time and values.
//! Calculate an analytical Jacobian and the residual at the current time and values.
/*!
* Only called if the jacFormation method is set to analytical
*
* @param t Time (input)
* @param delta_t The current value of the time step (input)
* @param cj Coefficient of yprime used in the evaluation of the jacobian
* @param cj Coefficient of yprime used in the evaluation of the Jacobian
* @param y Solution vector (input, do not modify)
* @param ydot Rate of change of solution vector. (input, do not modify)
* @param jacobianColPts Pointer to the vector of pts to columns of the SquareMatrix

10
include/cantera/numerics/solveProb.h
View file

@ -39,7 +39,7 @@
* algorithm to determine when to shut off
* time-stepping.
* 3: SOLVEPROB_JACOBIAN = Calculation of the surface problem is due to the
* need for a numerical jacobian for the gas-problem.
* need for a numerical Jacobian for the gas-problem.
* The solution is expected to be very close to the
* initial guess, and accuracy is needed.
* 4: SOLVEPROB_TRANSIENT = The transient calculation is performed here for an
@ -97,11 +97,11 @@ namespace Cantera
* time-stepping.
*
* 3: SOLVEPROB_JACOBIAN = Calculation of the surface problem is due to the
* need for a numerical jacobian for the gas-problem.
* need for a numerical Jacobian for the gas-problem.
* The solution is expected to be very close to the
* initial guess, and extra accuracy is needed because
* solution variables have been delta'd from
* nominal values to create jacobian entries.
* nominal values to create Jacobian entries.
*
* 4: SOLVEPROB_TRANSIENT = The transient calculation is performed here for an
* amount of time specified by "time_scale". It is
@ -309,7 +309,7 @@ private:
* @param resid output Vector of residuals, length = m_neq
* @param CSolnSP Vector of species concentrations, unknowns in the
* problem, length = m_neq. These are tweaked in order
* to derive the columns of the jacobian.
* to derive the columns of the Jacobian.
* @param CSolnSPOld Old Vector of species concentrations, unknowns in the
* problem, length = m_neq
* @param do_time Calculate a time dependent residual
@ -416,7 +416,7 @@ private:
*/
vector_fp m_resid;
//! Vector of pointers to the top of the columns of the jacobians
//! Vector of pointers to the top of the columns of the Jacobians
/*!
* The "dim" by "dim" computed Jacobian matrix for the
* local Newton's method.

4
include/cantera/oneD/MultiJac.h
View file

@ -70,10 +70,10 @@ public:
void incrementDiagonal(int j, doublereal d);
protected:
//! Residual evaluator for this jacobian
//! Residual evaluator for this Jacobian
/*!
* This is a pointer to the residual evaluator. This object isn't owned
* by this jacobian object.
* by this Jacobian object.
*/
OneDim* m_resid;

6
include/cantera/thermo/ConstDensityThermo.h
View file

@ -148,7 +148,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const {
@ -181,7 +181,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const {
@ -312,7 +312,7 @@ protected:
//! Temporary storage for dimensionless reference state heat capacities
mutable vector_fp m_cp0_R;
//! Temporary storage for dimensionless reference state gibbs energies
//! Temporary storage for dimensionless reference state Gibbs energies
mutable vector_fp m_g0_RT;
//! Temporary storage for dimensionless reference state entropies

2
include/cantera/thermo/DebyeHuckel.h
View file

@ -96,7 +96,7 @@ class PDSS_Water;
* \f]
*
* The standard state heat capacity and entropy are independent
* of pressure. The standard state gibbs free energy is obtained
* of pressure. The standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* The vector Phase::m_speciesSize[] is used to hold the

6
include/cantera/thermo/FixedChemPotSSTP.h
View file

@ -69,7 +69,7 @@ namespace Cantera
* <b> Instantiation of the Class </b>
*
* This phase may be instantiated by calling the default ThermoFactory routine
* for %Cantera. This new FixedChemPotSSTP object must then have a standalone xml file
* for %Cantera. This new FixedChemPotSSTP object must then have a standalone XML file
* description an example of which is given below.
*
* It may also be created by the following code snippets. The code
@ -392,7 +392,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -474,7 +474,7 @@ public:
/*!
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*

4
include/cantera/thermo/GibbsExcessVPSSTP.h
View file

@ -1,7 +1,7 @@
/**
* @file GibbsExcessVPSSTP.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::GibbsExcessVPSSTP GibbsExcessVPSSTP\endlink).
*
@ -124,7 +124,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/

10
include/cantera/thermo/HMWSoln.h
View file

@ -143,7 +143,7 @@ class WaterProps;
*
*
* The solute standard state heat capacity and entropy are independent
* of pressure. The solute standard state gibbs free energy is obtained
* of pressure. The solute standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* The vector Phase::m_speciesSize[] is used to hold the
@ -297,8 +297,8 @@ class WaterProps;
*
* <H3> Specification of the Excess Gibbs Free Energy </H3>
*
* Pitzer's formulation may best be represented as a specification of the excess gibbs
* free energy, \f$ G^{ex} \f$, defined as the deviation of the total gibbs free energy from
* Pitzer's formulation may best be represented as a specification of the excess Gibbs
* free energy, \f$ G^{ex} \f$, defined as the deviation of the total Gibbs free energy from
* that of an ideal molal solution.
* \f[
* G = G^{id} + G^{ex}
@ -577,7 +577,7 @@ class WaterProps;
* below the critical temperature of water.
* They found a temperature functional form for fitting the 3 following
* coefficients that describe the Pitzer parameterization for a single salt
* to be adequate to describe how the excess gibbs free energy values for
* to be adequate to describe how the excess Gibbs free energy values for
* the binary salt changes with respect to temperature.
* The following functional form
* was used to fit the temperature dependence of the Pitzer Coefficients
@ -1308,7 +1308,7 @@ public:
* about the species, including their reference state thermodynamic
* polynomials. We then freeze the state of the species.
*
* Then, we read the species molar volumes from the xml tree to finish the
* Then, we read the species molar volumes from the XML tree to finish the
* initialization.
*
* @param phaseNode This object must be the phase node of a complete XML tree

10
include/cantera/thermo/IdealGasPhase.h
View file

@ -70,7 +70,7 @@ namespace Cantera
* \f[
* S^o_k(T,P) = S^{ref}_k(T) - R \ln(\frac{P}{P_{ref}})
* \f]
* The standard state gibbs free energy is obtained from the enthalpy and entropy
* The standard state Gibbs free energy is obtained from the enthalpy and entropy
* functions:
*
* \f[
@ -690,7 +690,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -699,7 +699,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const;
@ -754,7 +754,7 @@ public:
virtual void getGibbs_RT_ref(doublereal* grt) const;
//! Returns the vector of the
//! gibbs function of the reference state at the current temperature
//! Gibbs function of the reference state at the current temperature
//! of the solution and the reference pressure for the species.
/*!
* units = J/kmol
@ -899,7 +899,7 @@ protected:
//! Temporary storage for dimensionless reference state heat capacities
mutable vector_fp m_cp0_R;
//! Temporary storage for dimensionless reference state gibbs energies
//! Temporary storage for dimensionless reference state Gibbs energies
mutable vector_fp m_g0_RT;
//! Temporary storage for dimensionless reference state entropies

2
include/cantera/thermo/IdealMolalSoln.h
View file

@ -188,7 +188,7 @@ public:
//! Molar Gibbs function for the solution: Units J/kmol.
/*!
* Returns the gibbs free energy of the solution per mole of the solution.
* Returns the Gibbs free energy of the solution per mole of the solution.
*
* \f[
* \bar{g}(T, P, X_k) = \sum_k X_k \mu_k(T)

16
include/cantera/thermo/IdealSolidSolnPhase.h
View file

@ -55,7 +55,7 @@ public:
* Constructor for IdealSolidSolnPhase.
* The generalized concentrations can have three different forms
* depending on the value of the member attribute #m_formGC, which
* is supplied in the constructor or read from the xml data file.
* is supplied in the constructor or read from the XML data file.
*
* @param formCG This parameter initializes the #m_formGC variable.
*/
@ -67,7 +67,7 @@ public:
* This constructor will also fully initialize the object.
* The generalized concentrations can have three different forms
* depending on the value of the member attribute #m_formGC, which
* is supplied in the constructor or read from the xml data file.
* is supplied in the constructor or read from the XML data file.
*
* @param infile File name for the XML datafile containing information
* for this phase
@ -146,15 +146,15 @@ public:
virtual doublereal entropy_mole() const;
/**
* Molar gibbs free energy of the solution. Units: J/kmol.
* Molar Gibbs free energy of the solution. Units: J/kmol.
* For an ideal, constant partial molar volume solution mixture with
* pure species phases which exhibit zero volume expansivity:
* \f[
* \hat g(T, P) = \sum_k X_k \hat g^0_k(T,P) + \hat R T \sum_k X_k log(X_k)
* \f]
* The reference-state pure-species gibbs free energies
* The reference-state pure-species Gibbs free energies
* \f$ \hat g^0_k(T) \f$ are computed by the species thermodynamic
* property manager, while the standard state gibbs free energies
* property manager, while the standard state Gibbs free energies
* \f$ \hat g^0_k(T,P) \f$ are computed by the member function, gibbs_RT().
* @see SpeciesThermo
*/
@ -603,7 +603,7 @@ public:
void getEntropy_R(doublereal* sr) const;
/**
* Get the nondimensional gibbs function for the species
* Get the nondimensional Gibbs function for the species
* standard states at the current T and P of the solution.
*
* \f[
@ -615,7 +615,7 @@ public:
*
* @param grt Vector of length m_kk, which on return sr[k]
* will contain the nondimensional
* standard state gibbs function for species k.
* standard state Gibbs function for species k.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -697,7 +697,7 @@ public:
/**
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*

6
include/cantera/thermo/IonsFromNeutralVPSSTP.h
View file

@ -44,7 +44,7 @@ enum IonSolnType_enumType {
* for the same phase expressed in terms of combinations of the
* ionic species that represent neutral molecules. It's expected
* that the neutral molecules will be represented in terms of
* an excess gibbs free energy approximation that is a derivative
* an excess Gibbs free energy approximation that is a derivative
* of the GbbsExcessVPSSTP object. All of the e Excess Gibbs free
* energy formulations in this area employ
* symmetrical formulations.
@ -156,7 +156,7 @@ public:
/// the phase and setting its parameters from a specification in an
/// input file.
//! Initialization of an IonsFromNeutralVPSSTP phase using an xml file
//! Initialization of an IonsFromNeutralVPSSTP phase using an XML file
/*!
* This routine is a precursor to initThermo(XML_Node*)
* routine, which does most of the work.
@ -179,7 +179,7 @@ public:
* reference state thermodynamic polynomials. We then freeze
* the state of the species.
*
* Then, we read the species molar volumes from the xml
* Then, we read the species molar volumes from the XML
* tree to finish the initialization.
*
* @param phaseNode This object must be the phase node of a complete XML tree

12
include/cantera/thermo/LatticePhase.h
View file

@ -57,7 +57,7 @@ namespace Cantera
* \f]
*
* The standard state heat capacity, internal energy, and entropy are independent
* of pressure. The standard state gibbs free energy is obtained
* of pressure. The standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* The standard state molar volume is independent of temperature, pressure,
@ -595,7 +595,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const;
@ -647,14 +647,14 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* The standard gibbs free energies are obtained from the enthalpy
* The standard Gibbs free energies are obtained from the enthalpy
* and entropy formulation.
*
* \f[
* g^o_k(T,P) = h^{o}_k(T,P) - T s^{o}_k(T,P)
* \f]
*
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -719,7 +719,7 @@ public:
*/
virtual void getGibbs_RT_ref(doublereal* grt) const;
//! Returns the vector of the gibbs function of the reference state at the current temperature
//! Returns the vector of the Gibbs function of the reference state at the current temperature
//! of the solution and the reference pressure for the species.
/*!
* units = J/kmol
@ -858,7 +858,7 @@ protected:
//! Temporary storage for the reference state heat capacities
mutable vector_fp m_cp0_R;
//! Temporary storage for the reference state gibbs energies
//! Temporary storage for the reference state Gibbs energies
mutable vector_fp m_g0_RT;
//! Temporary storage for the reference state entropies at the current temperature

8
include/cantera/thermo/LatticeSolidPhase.h
View file

@ -226,7 +226,7 @@ public:
//! Return the Molar Gibbs energy. Units: J/kmol.
/*!
* The molar gibbs free energy is determined by the following formula, where \f$ \theta_n \f$ is the
* The molar Gibbs free energy is determined by the following formula, where \f$ \theta_n \f$ is the
* lattice stoichiometric coefficient of the nth lattice
*
* \f[
@ -545,7 +545,7 @@ public:
/*!
* This function fills in its one entry in hrt[] by calling
* the underlying species thermo function for the
* dimensionless gibbs free energy, calculated from the
* dimensionless Gibbs free energy, calculated from the
* dimensionless enthalpy and entropy.
*
* @param grt Vector of dimensionless Gibbs free energies of the reference state
@ -553,13 +553,13 @@ public:
*/
virtual void getGibbs_RT_ref(doublereal* grt) const;
//! Returns the vector of the gibbs function of the reference state at the current
//! Returns the vector of the Gibbs function of the reference state at the current
//! temperatureof the solution and the reference pressure for the species.
/*!
* units = J/kmol
*
* This function fills in its one entry in g[] by calling the underlying species thermo
* functions for the gibbs free energy, calculated from enthalpy and the
* functions for the Gibbs free energy, calculated from enthalpy and the
* entropy, and the multiplying by RT.
*
* @param g Vector of Gibbs free energies of the reference state.

34
include/cantera/thermo/MargulesVPSSTP.h
View file

@ -1,7 +1,7 @@
/**
* @file MargulesVPSSTP.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::MargulesVPSSTP MargulesVPSSTP\endlink).
*
@ -29,13 +29,13 @@ namespace Cantera
*/
//! MargulesVPSSTP is a derived class of GibbsExcessVPSSTP that employs
//! the Margules approximation for the excess gibbs free energy
//! the Margules approximation for the excess Gibbs free energy
/*!
*
* MargulesVPSSTP derives from class GibbsExcessVPSSTP which is derived
* from VPStandardStateTP,
* and overloads the virtual methods defined there with ones that
* use expressions appropriate for the Margules Excess gibbs free energy
* use expressions appropriate for the Margules Excess Gibbs free energy
* approximation.
*
* The independent unknowns are pressure, temperature, and mass fraction.
@ -270,7 +270,7 @@ public:
MargulesVPSSTP();
//! Construct and initialize a MargulesVPSSTP ThermoPhase object
//! directly from an xml input file
//! directly from an XML input file
/*!
* Working constructors
*
@ -321,7 +321,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/
@ -668,51 +668,51 @@ protected:
size_t numBinaryInteractions_;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_d_ij;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_d_ij;
//! vector of species indices representing species A in the interaction

2
include/cantera/thermo/MaskellSolidSolnPhase.h
View file

@ -227,7 +227,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const;

6
include/cantera/thermo/MetalSHEelectrons.h
View file

@ -51,7 +51,7 @@ namespace Cantera
* S^o_k(T,P) = S^{ref}_k(T) - R \ln(\frac{P}{P_{ref}})
* \f]
*
* The standard state gibbs free energy is obtained from the enthalpy and entropy
* The standard state Gibbs free energy is obtained from the enthalpy and entropy
* functions:
*
* \f[
@ -115,7 +115,7 @@ namespace Cantera
* ThermoPhase *eMetal = newPhase("MetalSHEelectrons.xml", "MetalSHEelectrons");
* @endcode
*
* Additionally, this phase may be created without including an xml file with
* Additionally, this phase may be created without including an XML file with
* the special command, where the default file is embedded into this object.
*
* @code
@ -389,7 +389,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;

4
include/cantera/thermo/MineralEQ3.h
View file

@ -61,7 +61,7 @@ namespace Cantera
* \f]
*
* The standard state heat capacity and entropy are independent
* of pressure. The standard state gibbs free energy is obtained
* of pressure. The standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* <b> Specification of Solution Thermodynamic Properties </b>
@ -305,7 +305,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;

34
include/cantera/thermo/MixedSolventElectrolyte.h
View file

@ -1,7 +1,7 @@
/**
* @file MixedSolventElectrolyte.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::MargulesVPSSTP MargulesVPSSTP\endlink).
*
@ -29,13 +29,13 @@ namespace Cantera
*/
//! MixedSolventElectrolyte is a derived class of GibbsExcessVPSSTP that employs
//! the DH and local Marguless approximations for the excess gibbs free energy
//! the DH and local Marguless approximations for the excess Gibbs free energy
/*!
*
* MixedSolventElectrolyte derives from class GibbsExcessVPSSTP which is derived
* from VPStandardStateTP,
* and overloads the virtual methods defined there with ones that
* use expressions appropriate for the Margules Excess gibbs free energy
* use expressions appropriate for the Margules Excess Gibbs free energy
* approximation.
*
* The independent unknowns are pressure, temperature, and mass fraction.
@ -271,7 +271,7 @@ public:
MixedSolventElectrolyte();
//! Construct and initialize a MixedSolventElectrolyte ThermoPhase object
//! directly from an xml input file
//! directly from an XML input file
/*!
* @param inputFile Name of the input file containing the phase XML data
* to set up the object
@ -313,7 +313,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/
@ -659,51 +659,51 @@ protected:
size_t numBinaryInteractions_;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_d_ij;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_d_ij;
//! vector of species indices representing species A in the interaction

4
include/cantera/thermo/MixtureFugacityTP.h
View file

@ -496,7 +496,7 @@ protected:
public:
/*!
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*
@ -830,7 +830,7 @@ protected:
//! Temporary storage for dimensionless reference state heat capacities
mutable vector_fp m_cp0_R;
//! Temporary storage for dimensionless reference state gibbs energies
//! Temporary storage for dimensionless reference state Gibbs energies
mutable vector_fp m_g0_RT;
//! Temporary storage for dimensionless reference state entropies

4
include/cantera/thermo/MolarityIonicVPSSTP.h
View file

@ -1,7 +1,7 @@
/**
* @file MolarityIonicVPSSTP.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::MolarityIonicVPSSTP MolarityIonicVPSSTP\endlink).
*
@ -103,7 +103,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/

2
include/cantera/thermo/NasaPoly2.h
View file

@ -5,7 +5,7 @@
* on the NASA temperature polynomial form applied to two temperature regions
* (see \ref spthermo and class \link Cantera::NasaPoly2 NasaPoly2\endlink).
*
* Two zoned Nasa polynomial parameterization
* Two zoned NASA polynomial parameterization
*/
// Copyright 2001 California Institute of Technology

6
include/cantera/thermo/PDSS.h
View file

@ -339,7 +339,7 @@ public:
//! the current pressure and the reference pressure, p0
virtual doublereal entropyDelp_mole() const;
//! Get the difference in the standard state gibbs free energy
//! Get the difference in the standard state Gibbs free energy
//! between the current pressure and the reference pressure, p0.
virtual doublereal gibbsDelp_mole() const;
@ -366,9 +366,9 @@ public:
return m_maxTemp;
}
//! Return the molar gibbs free energy divided by RT at reference pressure
//! Return the molar Gibbs free energy divided by RT at reference pressure
/*!
* @return The reference state gibbs free energy at the current
* @return The reference state Gibbs free energy at the current
* temperature, divided by RT.
*/
virtual doublereal gibbs_RT_ref() const;

2
include/cantera/thermo/PDSS_ConstVol.h
View file

@ -139,7 +139,7 @@ public:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an xml tree
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
*

4
include/cantera/thermo/PDSS_HKFT.h
View file

@ -160,7 +160,7 @@ public:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an xml tree
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
*
@ -218,7 +218,7 @@ public:
//@}
private:
//! Main routine that actually calculates the gibbs free energy difference
//! Main routine that actually calculates the Gibbs free energy difference
//! between the reference state at Tr, Pr and T,P
/*!
* This is eEqn. 59 in Johnson et al. (1992).

2
include/cantera/thermo/PDSS_IdealGas.h
View file

@ -138,7 +138,7 @@ public:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//!Initialization of a PDSS object using an xml tree
//!Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
*

2
include/cantera/thermo/PDSS_IonsFromNeutral.h
View file

@ -153,7 +153,7 @@ public:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an xml tree
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
*

2
include/cantera/thermo/PDSS_SSVol.h
View file

@ -279,7 +279,7 @@ private:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an xml tree
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
*

2
include/cantera/thermo/PDSS_Water.h
View file

@ -245,7 +245,7 @@ public:
void constructPDSSFile(VPStandardStateTP* vptp_ptr, int spindex,
const std::string& inputFile, const std::string& id);
//!Initialization of a PDSS object using an xml tree
//!Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the
* object.

4
include/cantera/thermo/Phase.h
View file

@ -81,10 +81,10 @@ namespace Cantera
*
* Specify that the input mole, mass, and volume fraction vectors must sum to one on entry to the set state routines.
* Non-conforming mole/mass fraction vectors are not thermodynamically consistent.
* Moreover, unless we do this, the calculation of jacobians will be altered whenever the treatment of non-conforming mole
* Moreover, unless we do this, the calculation of Jacobians will be altered whenever the treatment of non-conforming mole
* fractions is changed. Add setState functions corresponding to specifying mole numbers, which is actually what
* is being done (well one of the options, there are many) when non-conforming mole fractions are input.
* Note, we realize that most numerical jacobian and some analytical jacobians use non-conforming calculations.
* Note, we realize that most numerical Jacobian and some analytical Jacobians use non-conforming calculations.
* These can easily be changed to the set mole number setState functions.
*
* @ingroup phases

36
include/cantera/thermo/PhaseCombo_Interaction.h
View file

@ -1,7 +1,7 @@
/**
* @file PhaseCombo_Interaction.h
* Header for intermediate ThermoPhase object for phases which
* employ the Margules gibbs free energy formulation and eliminates the ideal mixing term.
* employ the Margules Gibbs free energy formulation and eliminates the ideal mixing term.
* (see \ref thermoprops
* and class \link Cantera::PhaseCombo_Interaction PhaseCombo_Interaction\endlink).
*/
@ -25,12 +25,12 @@ namespace Cantera
*/
//! PhaseCombo_Interaction is a derived class of GibbsExcessVPSSTP that employs
//! the Margules approximation for the excess gibbs free energy while eliminating
//! the Margules approximation for the excess Gibbs free energy while eliminating
//! the entropy of mixing term.
/*!
* PhaseCombo_Interaction derives from class GibbsExcessVPSSTP which is derived from VPStandardStateTP,
* and overloads the virtual methods defined there with ones that
* use expressions appropriate for the Margules Excess gibbs free energy approximation.
* use expressions appropriate for the Margules Excess Gibbs free energy approximation.
* The reader should refer to the MargulesVPSSTP class for information on that class.
* This class in addition adds a term to the activity coefficient that eliminates the
* ideal solution mixing term within the chemical potential. This is a very radical thing
@ -78,7 +78,7 @@ namespace Cantera
* Each of the interactions are binary interactions involving two of the species in the phase, denoted, <I>Ai</I>
* and <I>Bi</I>.
* This is the generalization of the Margules formulation for a phase
* that has more than 2 species. The second term in the excess gibbs free energy is a negation of the
* that has more than 2 species. The second term in the excess Gibbs free energy is a negation of the
* ideal solution's mixing term.
*
* \f[
@ -345,7 +345,7 @@ public:
PhaseCombo_Interaction();
//! Construct and initialize a PhaseCombo_Interaction ThermoPhase object
//! directly from an xml input file
//! directly from an XML input file
/*!
* @param inputFile Name of the input file containing the phase XML data
* to set up the object
@ -386,7 +386,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/
@ -744,51 +744,51 @@ protected:
size_t numBinaryInteractions_;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_HE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_SE_d_ij;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_b_ij;
//! Enthalpy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_c_ij;
//! Enthalpy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VHE_d_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_b_ij;
//! Entropy term for the ternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_c_ij;
//! Entropy term for the quaternary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable vector_fp m_VSE_d_ij;
//! vector of species indices representing species A in the interaction

4
include/cantera/thermo/PseudoBinaryVPSSTP.h
View file

@ -1,7 +1,7 @@
/**
* @file PseudoBinaryVPSSTP.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::PseudoBinaryVPSSTP PseudoBinaryVPSSTP\endlink).
*
@ -92,7 +92,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/

4
include/cantera/thermo/PureFluidPhase.h
View file

@ -269,7 +269,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -299,7 +299,7 @@ public:
*/
virtual void getGibbs_RT_ref(doublereal* grt) const;
//! Returns the vector of the gibbs function of the reference state at the current temperature
//! Returns the vector of the Gibbs function of the reference state at the current temperature
//! of the solution and the reference pressure for the species.
/*!
* units = J/kmol

16
include/cantera/thermo/RedlichKisterVPSSTP.h
View file

@ -1,7 +1,7 @@
/**
* @file RedlichKisterVPSSTP.h
* Header for intermediate ThermoPhase object for phases which
* employ gibbs excess free energy based formulations
* employ Gibbs excess free energy based formulations
* (see \ref thermoprops
* and class \link Cantera::RedlichKisterVPSSTP RedlichKisterVPSSTP\endlink).
*
@ -30,11 +30,11 @@ namespace Cantera
*/
//! RedlichKisterVPSSTP is a derived class of GibbsExcessVPSSTP that employs
//! the Redlich-Kister approximation for the excess gibbs free energy
//! the Redlich-Kister approximation for the excess Gibbs free energy
/*!
* RedlichKisterVPSSTP derives from class GibbsExcessVPSSTP which is derived
* from VPStandardStateTP, and overloads the virtual methods defined there with ones that
* use expressions appropriate for the Redlich Kister Excess gibbs free energy approximation.
* use expressions appropriate for the Redlich Kister Excess Gibbs free energy approximation.
*
* The independent unknowns are pressure, temperature, and mass fraction.
*
@ -86,7 +86,7 @@ namespace Cantera
* G^E_{i} = n X_{Ai} X_{Bi} \sum_m \left( A^{i}_m {\left( X_{Ai} - X_{Bi} \right)}^m \right)
* \f]
*
* and where we can break down the gibbs free energy contributions into enthalpy and entropy contributions
* and where we can break down the Gibbs free energy contributions into enthalpy and entropy contributions
*
* \f[
* H^E_i = n X_{Ai} X_{Bi} \sum_m \left( H^{i}_m {\left( X_{Ai} - X_{Bi} \right)}^m \right)
@ -267,7 +267,7 @@ public:
RedlichKisterVPSSTP();
//! Construct and initialize a RedlichKisterVPSSTP ThermoPhase object
//! directly from an xml input file
//! directly from an XML input file
/*!
*
* @param inputFile Name of the input file containing the phase XML data
@ -309,7 +309,7 @@ public:
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate thermophase objects
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*/
@ -664,11 +664,11 @@ protected:
std::vector<size_t> m_N_ij;
//! Enthalpy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable std::vector< vector_fp> m_HE_m_ij;
//! Entropy term for the binary mole fraction interaction of the
//! excess gibbs free energy expression
//! excess Gibbs free energy expression
mutable std::vector< vector_fp> m_SE_m_ij;
//! form of the RedlichKister interaction expression

2
include/cantera/thermo/SingleSpeciesTP.h
View file

@ -348,7 +348,7 @@ public:
/*!
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*

10
include/cantera/thermo/SpeciesThermo.h
View file

@ -87,7 +87,7 @@ class SpeciesThermoInterpType;
*
* - NasaThermo in file NasaThermo.h
* - This is a two zone model, with each zone consisting of a 7
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* - ShomateThermo in file ShomateThermo.h
* - This is a two zone model, with each zone consisting of a 7
* coefficient Shomate Polynomial format.
@ -106,10 +106,10 @@ class SpeciesThermoInterpType;
*
* - NasaPoly1 in file NasaPoly1.h
* - This is a one zone model, consisting of a 7
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* - NasaPoly2 in file NasaPoly2.h
* - This is a two zone model, with each zone consisting of a 7
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* - ShomatePoly in file ShomatePoly.h
* - This is a one zone model, consisting of a 7
* coefficient Shomate Polynomial format.
@ -124,10 +124,10 @@ class SpeciesThermoInterpType;
* the heat capacity is treated as a constant.
* - Nasa9Poly1 in file Nasa9Poly1.h
* - This is a one zone model, consisting of the 9
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* - Nasa9PolyMultiTempRegion in file Nasa9PolyMultiTempRegion.h
* - This is a multiple zone model, consisting of the 9
* coefficient Nasa Polynomial format in each zone.
* coefficient NASA Polynomial format in each zone.
*
* In particular the NasaThermo SpeciesThermo-derived model has been
* optimized for execution speed. It's the main-stay of gas phase computations

2
include/cantera/thermo/SpeciesThermoFactory.h
View file

@ -152,7 +152,7 @@ public:
* VPStandardStateTP object.
*
* This serves to install the species into vpss_ptr, create a PDSS file. We also
* read the xml database to extract the constants for these steps.
* read the XML database to extract the constants for these steps.
*
* @param k species number
* @param speciesNode Reference to the XML node specifying the species

8
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -77,11 +77,11 @@ class VPSSMgr;
*
* - NasaPoly1 in file NasaPoly1.h
* - This is a one zone model, consisting of a 7
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* .
* - NasaPoly2 in file NasaPoly2.h
* - This is a two zone model, with each zone consisting of a 7
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* .
* - ShomatePoly in file ShomatePoly.h
* - This is a one zone model, consisting of a 7
@ -101,11 +101,11 @@ class VPSSMgr;
* .
* - Nasa9Poly1 in file Nasa9Poly1.h
* - This is a one zone model, consisting of the 9
* coefficient Nasa Polynomial format.
* coefficient NASA Polynomial format.
* .
* - Nasa9PolyMultiTempRegion in file Nasa9PolyMultiTempRegion.h
* - This is a multiple zone model, consisting of the 9
* coefficient Nasa Polynomial format in each zone.
* coefficient NASA Polynomial format in each zone.
* .
* - STITbyPDSS in file SpeciesThermoInterpType.h
* - This is an object that calculates reference state thermodynamic

10
include/cantera/thermo/StoichSubstance.h
View file

@ -198,7 +198,7 @@ public:
/**
* For a stoichiometric substance, there is only one species.
* This method returns the molar gibbs function in the
* This method returns the molar Gibbs function in the
* first element of array \c mu.
*/
virtual void getChemPotentials(doublereal* mu) const;
@ -272,7 +272,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const;
@ -312,20 +312,20 @@ public:
*
* This function fills in its one entry in hrt[] by calling
* the underlying species thermo function for the
* dimensionless gibbs free energy, calculated from the
* dimensionless Gibbs free energy, calculated from the
* dimensionless enthalpy and entropy.
*/
virtual void getGibbs_RT_ref(doublereal* grt) const;
/**
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*
* This function fills in its one entry in g[] by calling
* the underlying species thermo functions for the
* gibbs free energy, calculated from enthalpy and the
* Gibbs free energy, calculated from enthalpy and the
* entropy, and the multiplying by RT.
*/
virtual void getGibbs_ref(doublereal* g) const;

4
include/cantera/thermo/StoichSubstanceSSTP.h
View file

@ -60,7 +60,7 @@ namespace Cantera
* \f]
*
* The standard state heat capacity and entropy are independent
* of pressure. The standard state gibbs free energy is obtained
* of pressure. The standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* <b> Specification of Solution Thermodynamic Properties </b>
@ -368,7 +368,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;

6
include/cantera/thermo/SurfPhase.h
View file

@ -46,7 +46,7 @@ namespace Cantera
* \f]
*
* Also, the standard state chemical potentials, entropy, and heat capacities
* are independent of pressure. The standard state gibbs free energy is obtained
* are independent of pressure. The standard state Gibbs free energy is obtained
* from the enthalpy and entropy functions.
*
* <b> Specification of Solution Thermodynamic Properties </b>
@ -420,7 +420,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -582,7 +582,7 @@ protected:
//! Temporary storage for the reference state heat capacities
mutable vector_fp m_cp0;
//! Temporary storage for the reference state gibbs energies
//! Temporary storage for the reference state Gibbs energies
mutable vector_fp m_mu0;
//! Temporary work array

6
include/cantera/thermo/ThermoFactory.h
View file

@ -133,7 +133,7 @@ std::string eosTypeString(int ieos, int length = 100);
//! tree.
/*!
* This routine first looks up the identity of the model for the solution
* thermodynamics in the model attribute of the thermo child of the xml phase
* thermodynamics in the model attribute of the thermo child of the XML phase
* node. Then, it does a string lookup using Cantera's internal ThermoPhase
* Factory routines on the model to figure out what ThermoPhase derived class
* should be assigned. It creates a new instance of that class, and then calls
@ -163,7 +163,7 @@ ThermoPhase* newPhase(XML_Node& phase);
*/
ThermoPhase* newPhase(const std::string& infile, std::string id="");
//! Import a phase information into an empty thermophase object
//! Import a phase information into an empty ThermoPhase object
/*!
* Here we read an XML description of the thermodynamic information
* for a phase. At the end of this routine, the phase should
@ -218,7 +218,7 @@ ThermoPhase* newPhase(const std::string& infile, std::string id="");
* the species in the phase.
* @param th Pointer to the ThermoPhase object which will
* handle the thermodynamics for this phase.
* We initialize part of the Thermophase object
* We initialize part of the ThermoPhase object
* here, especially for those objects which are
* part of the Cantera Kernel.
*

12
include/cantera/thermo/ThermoPhase.h
View file

@ -80,9 +80,9 @@ const int cSS_CONVENTION_SLAVE = 2;
* dimensionless.
*
* K_p is the calculation of the equilibrium constant from the
* reference state gibbs free energy values. It is by definition
* reference state Gibbs free energy values. It is by definition
* dimensionless. The pressure dependence is handled entirely
* on the rhs of the equilibrium expression.
* on the RHS of the equilibrium expression.
*
* K_c is the equilibrium constant calculated from the
* activity concentrations. The dimensions depend on the number
@ -694,7 +694,7 @@ public:
//! Get the nondimensional Gibbs functions for the species
//! in their standard states at the current <I>T</I> and <I>P</I> of the solution.
/*!
* @param grt Output vector of nondimensional standard state gibbs free energies
* @param grt Output vector of nondimensional standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getGibbs_RT(doublereal* grt) const {
@ -705,7 +705,7 @@ public:
//! state of the species at the current <I>T</I> and <I>P</I> of the solution
/*!
* Units are Joules/kmol
* @param gpure Output vector of standard state gibbs free energies
* @param gpure Output vector of standard state Gibbs free energies
* Length: m_kk.
*/
virtual void getPureGibbs(doublereal* gpure) const {
@ -802,7 +802,7 @@ public:
}
//! Returns the vector of the
//! gibbs function of the reference state at the current temperature
//! Gibbs function of the reference state at the current temperature
//! of the solution and the reference pressure for the species.
/*!
* units = J/kmol
@ -1648,7 +1648,7 @@ protected:
* Occasionally, the need arises to find a safe mole fraction vector to initialize
* the object to. This contains such a vector.
* The algorithm will pick up the mole fraction vector that is applied from
* the state xml file in the input file
* the state XML file in the input file
*/
std::vector<doublereal> xMol_Ref;

6
include/cantera/thermo/VPSSMgr.h
View file

@ -406,7 +406,7 @@ public:
}
/*!
* Returns the vector of the gibbs function of the reference state at the
* Returns the vector of the Gibbs function of the reference state at the
* current temperature of the solution and the reference pressure for the
* species. units = J/kmol
*
@ -822,7 +822,7 @@ protected:
*/
mutable vector_fp mPDSS_cp0_R;
//! species reference gibbs free energies - used by individual PDSS objects
//! species reference Gibbs free energies - used by individual PDSS objects
/**
* Vector containing the species reference Gibbs functions
* at T = m_tlast and P = p_ref.
@ -857,7 +857,7 @@ protected:
*/
mutable vector_fp mPDSS_cpss_R;
//! species standard state gibbs free energies - used by individual PDSS objects
//! species standard state Gibbs free energies - used by individual PDSS objects
/**
* Vector containing the species standard state Gibbs functions
* at T = m_tlast and P = p_ref.

2
include/cantera/thermo/VPStandardStateTP.h
View file

@ -407,7 +407,7 @@ protected:
public:
/*!
* Returns the vector of the
* gibbs function of the reference state at the current temperature
* Gibbs function of the reference state at the current temperature
* of the solution and the reference pressure for the species.
* units = J/kmol
*

2
include/cantera/thermo/WaterPropsIAPWSphi.h
View file

@ -123,7 +123,7 @@ public:
*/
doublereal dfind(doublereal p_red, doublereal tau, doublereal deltaGuess);
//! Calculate the dimensionless gibbs free energy
//! Calculate the dimensionless Gibbs free energy
doublereal gibbs_RT() const;
//! Calculate the dimensionless enthalpy, h/RT

10
include/cantera/thermo/WaterSSTP.h
View file

@ -205,21 +205,21 @@ public:
//! @name Properties of the Standard State of the Species in the Solution
//! @{
//! Get the gibbs function for the species
//! Get the Gibbs function for the species
//! standard states at the current T and P of the solution.
/*!
* @param gss Vector of length m_kk, which on return
* will contain the
* standard state gibbs function for species <I>k</I>.
* standard state Gibbs function for species <I>k</I>.
*/
virtual void getStandardChemPotentials(doublereal* gss) const;
//!Get the nondimensional gibbs function for the species
//!Get the nondimensional Gibbs function for the species
//! standard states at the current T and P of the solution.
/*!
* @param grt Vector of length m_kk, which on return
* will contain the nondimensional
* standard state gibbs function for species <I>k</I>
* standard state Gibbs function for species <I>k</I>
*/
virtual void getGibbs_RT(doublereal* grt) const;
@ -288,7 +288,7 @@ public:
virtual void getGibbs_RT_ref(doublereal* grt) const;
/*!
* Returns the vector of the gibbs function of the reference state at the
* Returns the vector of the Gibbs function of the reference state at the
* current temperature of the solution and the reference pressure for the
* species. units = J/kmol
*

6
include/cantera/transport/AqueousTransport.h
View file

@ -77,7 +77,7 @@ namespace Cantera
* \sum_i \mathbf{j}_i = 0
* \f]
*
* When there are charged species, we replace the rhs with the
* When there are charged species, we replace the RHS with the
* gradient of the electrochemical potential to obtain the
* modified equation
*
@ -435,10 +435,10 @@ private:
*/
DenseMatrix m_wratkj1;
//! RHS to the stefan-maxwell equation
//! RHS to the Stefan-Maxwell equation
Array2D m_B;
//! Matrix for the stefan maxwell equation.
//! Matrix for the Stefan-Maxwell equation.
DenseMatrix m_A;
//! Internal storage for the species LJ well depth

2
include/cantera/transport/LTPspecies.h
View file

@ -248,7 +248,7 @@ public:
* \f[
* x = A T^b \exp( - E / RT )
* \f]
* where A, b, and E are passed in the xml input file.
* where A, b, and E are passed in the XML input file.
*
* As an example of the input required for LTPspecies_Arrhenius
* consider the following XML fragment

4
include/cantera/transport/LiquidTranInteraction.h
View file

@ -448,7 +448,7 @@ protected:
* \f]
* where F is Faraday's constant, RT is the gas constant times the
* tempurature, and V is the molar volume (basis is moles of ions) that is
* calculated by the thermophase member. X_A and X_B are the mole fractions
* calculated by the ThermoPhase member. X_A and X_B are the mole fractions
* of the salts composed of cation(1) and cation(2), respectively, that share
* a common anion(3). \f$\nu_{+,-}\f$ are the stoichiometric coefficients in
* the dissociation reaction of the salts to the ions with charges of
@ -463,7 +463,7 @@ protected:
* where the self diffusion coefficients, \f$D_i^*\f$, are temperature and
* composition parameterized inputs and the derivative of the activity
* coefficient, \f$\frac{\partial \gamma_B}{\partial N_B}\f$, is calculated
* by the thermophase member using the excess enthalpy and entropy upon mixing.
* by the ThermoPhase member using the excess enthalpy and entropy upon mixing.
*
* Finally, the deviation of the transferrence numbers from ideality,
* \f$\epsilon\f$, is calculated from the mobility ratio of the cations.

14
include/cantera/transport/LiquidTransport.h
View file

@ -178,7 +178,7 @@ public:
* tracer species at the current temperature and composition of the
* species. Therefore, the dilute limit of transport is assumed for the
* tracer species. The effective formula may be calculated from the
* stefan-maxwell formulation by adding another row for the tracer
* Stefan-Maxwell formulation by adding another row for the tracer
* species, assigning all D's to be equal to the respective species D's,
* and then taking the limit as the tracer species mole fraction goes to
* zero. The corresponding flux equation for the tracer species k in
@ -656,14 +656,14 @@ protected:
* \nabla ( \ln a_k ) \right]
* \f]
*
* The gradient in the activity coefficient requires the use of thermophase
* The gradient in the activity coefficient requires the use of ThermoPhase
* getdlnActCoeff that calculates its change based on a change in the state
* (i.e. temperature and composition of each species) which was first
* implemented in MargulesVPSSTP.cpp (LiquidTransport.h doxygen)
*/
virtual void update_Grad_lnAC();
//! Solve the stefan_maxell equations for the diffusive fluxes.
//! Solve the Stefan-Maxwell equations for the diffusive fluxes.
/*!
* The diffusive mass flux of species \e k is computed
* using the Stefan-Maxwell equation
@ -687,7 +687,7 @@ protected:
* velocities may be specified as relative to a specific species (i.e. a
* solvent) all according to the `velocityBasis` input parameter.
*
* The gradient in the activity coefficient requires the use of thermophase
* The gradient in the activity coefficient requires the use of ThermoPhase
* getdlnActCoeff that calculates its change based on a change in the state
* i.e. temperature and composition of each species.
* First implemented in MargulesVPSSTP.cpp.
@ -914,7 +914,7 @@ private:
*/
LiquidTranInteraction* m_diffMixModel;
//! Setfan-Maxwell diffusion coefficients
//! Stefan-Maxwell diffusion coefficients
DenseMatrix m_diff_Dij;
//! Hydrodynamic radius for each species expressed as an appropriate subclass of LTPspecies
@ -1169,10 +1169,10 @@ private:
//! Vector of activity coefficients
vector_fp m_actCoeff;
//! RHS to the stefan-maxwell equation
//! RHS to the Stefan-Maxwell equation
DenseMatrix m_B;
//! Matrix for the stefan maxwell equation.
//! Matrix for the Stefan-Maxwell equation.
DenseMatrix m_A;
//! Current Temperature -> locally stored

2
include/cantera/transport/SimpleTransport.h
View file

@ -75,7 +75,7 @@ namespace Cantera
* \sum_i \mathbf{j}_i = 0
* \f]
*
* When there are charged species, we replace the rhs with the
* When there are charged species, we replace the RHS with the
* gradient of the electrochemical potential to obtain the
* modified equation
*

4
include/cantera/transport/TransportBase.h
View file

@ -316,7 +316,7 @@ public:
* The self diffusion coefficient is the diffusion coefficient of a tracer
* species at the current temperature and composition of the species.
* Therefore, the dilute limit of transport is assumed for the tracer
* species. The effective formula may be calculated from the stefan-maxwell
* species. The effective formula may be calculated from the Stefan-Maxwell
* formulation by adding another row for the tracer species, assigning all
* D's to be equal to the respective species D's, and then taking the limit
* as the tracer species mole fraction goes to zero. The corresponding flux
@ -372,7 +372,7 @@ public:
//! Get the Electrical mobilities (m^2/V/s).
/*!
* This function returns the mobilities. In some formulations
* this is equal to the normal mobility multiplied by faraday's constant.
* this is equal to the normal mobility multiplied by Faraday's constant.
*
* Frequently, but not always, the mobility is calculated from the
* diffusion coefficient using the Einstein relation

2
include/cantera/transport/TransportParams.h
View file

@ -1,6 +1,6 @@
/**
* @file TransportParams.h
* Class that holds the data that is read in from the xml file, and which is used for
* Class that holds the data that is read in from the XML file, and which is used for
* processing of the transport object
* (see \ref tranprops and \link Cantera::TransportParams TransportParams \endlink).
*/

2
interfaces/cython/cantera/ctml_writer.py
View file

@ -283,7 +283,7 @@ def is_local_species(name):
return 0
def dataset(nm):
"Set the dataset name. Invoke this to change the name of the xml file."
"Set the dataset name. Invoke this to change the name of the XML file."
global _name
_name = nm

2
interfaces/cython/cantera/mixture.pyx
View file

@ -212,7 +212,7 @@ cdef class Mixture:
return self.mix.charge()
def phase_charge(self, p):
"""The charge of phase *p* in Coulumbs."""
"""The charge of phase *p* in Coulombs."""
return self.mix.phaseCharge(self.phase_index(p))
def phase_moles(self, p=None):

2
interfaces/cython/cantera/thermo.pyx
View file

@ -308,7 +308,7 @@ cdef class ThermoPhase(_SolutionBase):
* 'gibbs' - a slower but more robust Gibbs minimization solver
* 'vcs' - the VCS non-ideal equilibrium solver
* "auto" - The element potential solver will be tried first, then
if it fails the gibbs solver will be tried.
if it fails the Gibbs solver will be tried.
:param rtol:
the relative error tolerance.
:param maxsteps:

2
platform/posix/SConscript
View file

@ -73,7 +73,7 @@ else:
localenv['mak_boost_libs'] = ' '.join('-l%s' % s for s in localenv['boost_libs'])
pc_libs += localenv['boost_libs']
# Handle blas/lapack linkage
# Handle BLAS/LAPACK linkage
localenv['mak_have_blas_lapack_dir'] = '1' if localenv['blas_lapack_dir'] else '0'
if localenv['blas_lapack_dir']:

2
src/base/application.h
View file

@ -412,7 +412,7 @@ protected:
std::map<std::string, std::string> options;
//! Current value of tmp_dir
std::string tmp_dir;
//! Current vector of xml file trees that have been previously parsed
//! Current vector of XML file trees that have been previously parsed
//! The second element of the value is used to store the last-modified time
//! for the file, to enable change detection.
std::map<std::string, std::pair<XML_Node*, int> > xmlfiles;

2
src/base/ctml.cpp
View file

@ -331,7 +331,7 @@ size_t getFloatArray(const Cantera::XML_Node& node, std::vector<doublereal> & v,
vector<Cantera::XML_Node*> ll = node.getChildren(nodeName);
if (ll.size() == 0) {
throw CanteraError("getFloatArray",
"wrong xml element type/name: was expecting "
"wrong XML element type/name: was expecting "
+ nodeName + "but accessed " + node.name());
} else {
readNode = ll[0];

2
src/equil/BasisOptimize.cpp
View file

@ -278,7 +278,7 @@ size_t Cantera::BasisOptimize(int* usedZeroedSpecies, bool doFormRxn,
* C will be an nc x nc matrix made up of the formula
* vectors for the components. Each component's formula
* vector is a column. The rows are the elements.
* n rhs's will be solved for. Thus, B is an nc x n
* n RHS's will be solved for. Thus, B is an nc x n
* matrix.
*
* BIG PROBLEM 1/21/99:

6
src/equil/ChemEquil.cpp
View file

@ -429,7 +429,7 @@ int ChemEquil::equilibrate(thermo_t& s, const char* XYstr,
size_t mm = m_mm;
size_t nvar = mm + 1;
DenseMatrix jac(nvar, nvar); // jacobian
DenseMatrix jac(nvar, nvar); // Jacobian
vector_fp x(nvar, -102.0); // solution vector
vector_fp res_trial(nvar, 0.0); // residual
@ -585,7 +585,7 @@ int ChemEquil::equilibrate(thermo_t& s, const char* XYstr,
* Do a better estimate of the element potentials.
* We have found that the current estimate may not be good
* enough to avoid drastic numerical issues associated with
* the use of a numerically generated jacobian.
* the use of a numerically generated Jacobian.
*
* The Brinkley algorithm assumes a constant T, P system
* and uses a linearized analytical Jacobian that turns out
@ -693,7 +693,7 @@ int ChemEquil::equilibrate(thermo_t& s, const char* XYstr,
}
return 0;
}
// compute the residual and the jacobian using the current
// compute the residual and the Jacobian using the current
// solution vector
equilResidual(s, x, elMolesGoal, res_trial, xval, yval);
f = 0.5*dot(res_trial.begin(), res_trial.end(), res_trial.begin());

4
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -785,7 +785,7 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase,
for (size_t iphase = 0; iphase < totNumPhases; iphase++) {
/*
* Get the thermophase object - assume volume phase
* Get the ThermoPhase object - assume volume phase
*/
Cantera::ThermoPhase* tPhase = &(mphase->phase(iphase));
size_t nelem = tPhase->nElements();
@ -1066,7 +1066,7 @@ int vcs_Cantera_to_vprob(Cantera::MultiPhase* mphase,
VolPhase->setMolesFromVCS(VCS_STATECALC_OLD, VCS_DATA_PTR(vprob->w));
/*
* Now, calculate a sample naught gibbs free energy calculation
* Now, calculate a sample naught Gibbs free energy calculation
* at the specified temperature.
*/
double R = vcsUtil_gasConstant(vprob->m_VCS_UnitsFormat);

2
src/equil/vcs_TP.cpp
View file

@ -63,7 +63,7 @@ int VCS_SOLVE::vcs_evalSS_TP(int ipr, int ip1, double Temp, double pres)
* comes into play in calculating the ideal equation of state
* contributions, and other equations of state also. Therefore,
* we will emulate the VCS_UNITS_KELVIN case, here by changing
* the initial gibbs free energy units to Kelvin before feeding
* the initial Gibbs free energy units to Kelvin before feeding
* them to the cpc_ts_GStar_calc() routine. Then, we will revert
* them back to unitless at the end of this routine.
*/

2
src/equil/vcs_VolPhase.cpp
View file

@ -815,7 +815,7 @@ void vcs_VolPhase::_updateLnActCoeffJac()
void vcs_VolPhase::sendToVCS_LnActCoeffJac(Cantera::Array2D& np_LnACJac_VCS)
{
/*
* update the Ln Act Coeff jacobian entries with respect to the
* update the Ln Act Coeff Jacobian entries with respect to the
* mole number of species in the phase -> we always assume that
* they are out of date.
*/

2
src/equil/vcs_phaseStability.cpp
View file

@ -514,7 +514,7 @@ double VCS_SOLVE::vcs_phaseStabilityTest(const size_t iph)
minNumberIterations = 1;
}
// We will do a full newton calculation later, but for now, ...
// We will do a full Newton calculation later, but for now, ...
bool doSuccessiveSubstitution = true;
double funcPhaseStability;
vector<doublereal> X_est(nsp, 0.0);

4
src/equil/vcs_solve_TP.cpp
View file

@ -1736,7 +1736,7 @@ double VCS_SOLVE::vcs_minor_alt_calc(size_t kspec, size_t irxn, bool* do_delete,
}
/*
* get the diagonal of the activity coefficient jacobian
* get the diagonal of the activity coefficient Jacobian
*/
s = m_np_dLnActCoeffdMolNum(kspec,kspec) / (m_tPhaseMoles_old[iph]);
/*
@ -2821,7 +2821,7 @@ L_END_LOOP:
* coefficients. CX + B = 0
* C will be an nc x nc matrix made up of the formula
* vectors for the components.
* n rhs's will be solved for. Thus, B is an nc x n
* n RHS's will be solved for. Thus, B is an nc x n
* matrix.
*
* BIG PROBLEM 1/21/99:

2
src/kinetics/KineticsFactory.cpp
View file

@ -24,7 +24,7 @@ Kinetics* KineticsFactory::newKinetics(XML_Node& phaseData,
vector<ThermoPhase*> th)
{
/*
* Look for a child of the xml element phase called
* Look for a child of the XML element phase called
* "kinetics". It has an attribute name "model".
* Store the value of that attribute in the variable kintype
*/

14
src/kinetics/importKinetics.cpp
View file

@ -104,8 +104,8 @@ bool getReagents(const XML_Node& rxn, Kinetics& kin, int rp,
/*
* The id of reactants and products are kept in child elements
* of reaction, named "reactants" and "products". We search
* the xml tree for these children based on the value of rp,
* and store the xml element pointer here.
* the XML tree for these children based on the value of rp,
* and store the XML element pointer here.
*/
if (rp == 1) {
rptype = "reactants";
@ -196,7 +196,7 @@ bool getReagents(const XML_Node& rxn, Kinetics& kin, int rp,
}
/**
* getArrhenius() parses the xml element called Arrhenius.
* getArrhenius() parses the XML element called Arrhenius.
* The Arrhenius expression is
* \f[ k = A T^(b) exp (-E_a / RT). \f]
* @deprecated to be removed after Cantera 2.2.
@ -565,7 +565,7 @@ bool installReactionArrays(const XML_Node& p, Kinetics& kin,
int itot = 0;
/*
* Search the children of the phase element for the
* xml element named reactionArray. If we can't find it,
* XML element named reactionArray. If we can't find it,
* then return signaling having not found any reactions.
* Apparently, we allow multiple reactionArray elements here
* Each one will be processed sequentially, with the
@ -578,17 +578,17 @@ bool installReactionArrays(const XML_Node& p, Kinetics& kin,
}
for (size_t n = 0; n < rarrays.size(); n++) {
/*
* Go get a reference to the current xml element,
* Go get a reference to the current XML element,
* reactionArray. We will process this element now.
*/
const XML_Node& rxns = *rarrays[n];
/*
* The reactionArray element has an attribute called,
* datasrc. The value of the attribute is the xml
* datasrc. The value of the attribute is the XML
* element comprising the top of the
* tree of reactions for the phase.
* Find this datasrc element starting with the root
* of the current xml node.
* of the current XML node.
*/
const XML_Node* rdata = get_XML_Node(rxns["datasrc"], &rxns.root());
/*

6
src/kinetics/solveSP.cpp
View file

@ -243,13 +243,13 @@ int solveSP::solveSurfProb(int ifunc, doublereal time_scale, doublereal TKelvin,
}
} else {
/* make steady state calc a step of 1 million seconds to
prevent singular jacobians for some pathological cases */
prevent singular Jacobians for some pathological cases */
inv_t = 1.0e-6;
}
deltaT = 1.0/inv_t;
/*
* Call the routine to numerically evaluation the jacobian
* Call the routine to numerically evaluation the Jacobian
* and residual for the current iteration.
*/
resjac_eval(m_Jac, DATA_PTR(m_resid), DATA_PTR(m_CSolnSP),
@ -801,7 +801,7 @@ void solveSP::print_header(int ioflag, int ifunc, doublereal time_scale,
printf("\n SOLVESP Called to calculate steady state residual\n");
printf(" from a good initial guess\n");
} else if (ifunc == SFLUX_JACOBIAN) {
printf("\n SOLVESP Called to calculate steady state jacobian\n");
printf("\n SOLVESP Called to calculate steady state Jacobian\n");
printf(" from a good initial guess\n");
} else if (ifunc == SFLUX_TRANSIENT) {
printf("\n SOLVESP Called to integrate surface in time\n");

16
src/numerics/BEulerInt.cpp
View file

@ -274,7 +274,7 @@ void BEulerInt::computeResidWts(GeneralMatrix& jac)
* We compute residual weights here, which we define as the L_0 norm
* of the Jacobian Matrix, weighted by the solution weights.
* This is the proper way to guage the magnitude of residuals. However,
* it does need the evaluation of the jacobian, and the implementation
* it does need the evaluation of the Jacobian, and the implementation
* below is slow, but doesn't take up much memory.
*
* Here a small weighting indicates that the change in solution is
@ -461,7 +461,7 @@ static void print_lvl1_summary(
*
* This routine is used in numerical differencing schemes in order
* to avoid roundoff errors resulting in creating Jacobian terms.
* Note: This is a slow routine. However, jacobian errors may cause
* Note: This is a slow routine. However, Jacobian errors may cause
* loss of convergence. Therefore, in practice this routine
* has proved cost-effective.
*/
@ -497,7 +497,7 @@ void BEulerInt::beuler_jac(GeneralMatrix& J, double* const f,
if (m_jacFormMethod & BEULER_JAC_ANAL) {
/********************************************************************
* Call the function to get a jacobian.
* Call the function to get a Jacobian.
*/
m_func->evalJacobian(time_curr, delta_t_n, CJ, y, ydot, J, f);
m_nJacEval++;
@ -507,7 +507,7 @@ void BEulerInt::beuler_jac(GeneralMatrix& J, double* const f,
* Generic algorithm to calculate a numerical Jacobian
*/
/*
* Calculate the current value of the rhs given the
* Calculate the current value of the RHS given the
* current conditions.
*/
@ -1030,7 +1030,7 @@ double BEulerInt::step(double t_max)
calc_ydot(m_order, &m_y_n[0], &m_ydot_n[0]);
/*
* Calculate CJ, the coefficient for the jacobian corresponding to the
* Calculate CJ, the coefficient for the Jacobian corresponding to the
* derivative of the residual wrt to the acceleration vector.
*/
if (m_order < 2) {
@ -1780,7 +1780,7 @@ int BEulerInt::solve_nonlinear_problem(double* const y_comm,
num_newt_its);
} else {
if (loglevel > 1) {
printf("\t\t\tSolving system with old jacobian\n");
printf("\t\t\tSolving system with old Jacobian\n");
}
}
@ -1794,7 +1794,7 @@ int BEulerInt::solve_nonlinear_problem(double* const y_comm,
num_backtracks += i_backtracks;
/*
* Impose the minimum number of newton iterations critera
* Impose the minimum number of Newton iterations critera
*/
if (num_newt_its < m_min_newt_its) {
if (m == 1) {
@ -1802,7 +1802,7 @@ int BEulerInt::solve_nonlinear_problem(double* const y_comm,
}
}
/*
* Impose max newton iteration
* Impose max Newton iteration
*/
if (num_newt_its > 20) {
m = -1;

6
src/numerics/CVodeInt.cpp
View file

@ -7,7 +7,7 @@
#include "CVodeInt.h"
using namespace std;
// cvode includes
// CVODE includes
#include "../../ext/cvode/include/llnltyps.h"
#include "../../ext/cvode/include/llnlmath.h"
#include "../../ext/cvode/include/cvode.h"
@ -21,7 +21,7 @@ using namespace std;
extern "C" {
/**
* Function called by cvode to evaluate ydot given y. The cvode
* Function called by CVODE to evaluate ydot given y. The CVODE
* integrator allows passing in a void* pointer to access
* external data. This pointer is cast to a pointer to a instance
* of class FuncEval. The equations to be integrated should be
@ -39,7 +39,7 @@ extern "C" {
}
/**
* Function called by cvode to evaluate the Jacobian matrix.
* Function called by CVODE to evaluate the Jacobian matrix.
* (temporary)
* @ingroup odeGroup
*/

6
src/numerics/CVodeInt.h
View file

@ -25,8 +25,8 @@ public:
};
/**
* Wrapper class for 'cvode' integrator from LLNL.
* The unmodified cvode code is in directory ext/cvode.
* Wrapper class for 'CVODE' integrator from LLNL.
* The unmodified CVODE code is in directory ext/cvode.
*
* @see FuncEval.h. Classes that use CVodeInt:
* ImplicitChem, ImplicitSurfChem, Reactor
@ -35,7 +35,7 @@ class CVodeInt : public Integrator
{
public:
/*!
* Constructor. Default settings: dense jacobian, no user-supplied
* Constructor. Default settings: dense Jacobian, no user-supplied
* Jacobian function, Newton iteration.
*/
CVodeInt();

4
src/numerics/CVodesIntegrator.cpp
View file

@ -47,7 +47,7 @@ public:
extern "C" {
/**
* Function called by cvodes to evaluate ydot given y. The cvode
* Function called by cvodes to evaluate ydot given y. The CVODE
* integrator allows passing in a void* pointer to access
* external data. This pointer is cast to a pointer to a instance
* of class FuncEval. The equations to be integrated should be
@ -289,7 +289,7 @@ void CVodesIntegrator::initialize(double t0, FuncEval& func)
* Specify the method and the iteration type:
* Cantera Defaults:
* CV_BDF - Use BDF methods
* CV_NEWTON - use newton's method
* CV_NEWTON - use Newton's method
*/
m_cvode_mem = CVodeCreate(m_method, m_iter);
if (!m_cvode_mem) {

60
src/numerics/NonlinearSolver.cpp
View file

@ -1067,7 +1067,7 @@ int NonlinearSolver::doAffineNewtonSolve(const doublereal* const y_curr, const
}
vector_fp delyH(neq_);
// First recalculate the scaled residual. It got wiped out doing the newton solve
// First recalculate the scaled residual. It got wiped out doing the Newton solve
if (m_rowScaling) {
for (size_t n = 0; n < neq_; n++) {
delyH[n] = -m_rowScales[n] * m_resid[n];
@ -1405,23 +1405,23 @@ void NonlinearSolver::descentComparison(doublereal time_curr, doublereal* ydot0
* HKM These have been shown to exactly match up.
* The steepest direction is always largest even when there are variable solution weights
*
* HKM When a hessian is used with junk on the diagonal, funcDecreaseNewtExp2 is no longer accurate as the
* HKM When a Hessian is used with junk on the diagonal, funcDecreaseNewtExp2 is no longer accurate as the
* direction gets significantly shorter with increasing condition number. This suggests an algorithm where the
* newton step from the Hessian should be increased so as to match funcDecreaseNewtExp2 = funcDecreaseNewt2.
* This roughly equals the ratio of the norms of the hessian and newton steps. This increased Newton step can
* Newton step from the Hessian should be increased so as to match funcDecreaseNewtExp2 = funcDecreaseNewt2.
* This roughly equals the ratio of the norms of the Hessian and Newton steps. This increased Newton step can
* then be used with the trust region double dogleg algorithm.
*/
if ((s_print_DogLeg && m_print_flag >= 3) || (doDogLeg_ && m_print_flag >= 5)) {
printf("\t\t descentComparison: initial rate of decrease of func in cauchy dir (expected) = %g\n", funcDecreaseSDExp);
printf("\t\t descentComparison: initial rate of decrease of func in cauchy dir = %g\n", funcDecreaseSD);
printf("\t\t descentComparison: initial rate of decrease of func in newton dir (expected) = %g\n", funcDecreaseNewtExp2);
printf("\t\t descentComparison: initial rate of decrease of func in newton dir = %g\n", funcDecreaseNewt2);
printf("\t\t descentComparison: initial rate of decrease of func in Cauchy dir (expected) = %g\n", funcDecreaseSDExp);
printf("\t\t descentComparison: initial rate of decrease of func in Cauchy dir = %g\n", funcDecreaseSD);
printf("\t\t descentComparison: initial rate of decrease of func in Newton dir (expected) = %g\n", funcDecreaseNewtExp2);
printf("\t\t descentComparison: initial rate of decrease of func in Newton dir = %g\n", funcDecreaseNewt2);
}
if ((s_print_DogLeg && m_print_flag >= 3) || (doDogLeg_ && m_print_flag >= 4)) {
printf("\t\t descentComparison: initial rate of decrease of Resid in cauchy dir (expected) = %g\n", ResidDecreaseSDExp_);
printf("\t\t descentComparison: initial rate of decrease of Resid in cauchy dir = %g\n", ResidDecreaseSD_);
printf("\t\t descentComparison: initial rate of decrease of Resid in newton dir (expected) = %g\n", ResidDecreaseNewtExp_);
printf("\t\t descentComparison: initial rate of decrease of Resid in newton dir = %g\n", ResidDecreaseNewt_);
printf("\t\t descentComparison: initial rate of decrease of Resid in Cauchy dir (expected) = %g\n", ResidDecreaseSDExp_);
printf("\t\t descentComparison: initial rate of decrease of Resid in Cauchy dir = %g\n", ResidDecreaseSD_);
printf("\t\t descentComparison: initial rate of decrease of Resid in Newton dir (expected) = %g\n", ResidDecreaseNewtExp_);
printf("\t\t descentComparison: initial rate of decrease of Resid in Newton dir = %g\n", ResidDecreaseNewt_);
}
if ((s_print_DogLeg && m_print_flag >= 5) || (doDogLeg_ && m_print_flag >= 5)) {
@ -1459,7 +1459,7 @@ void NonlinearSolver::setupDoubleDogleg()
* (grad f)T H (grad f) (grad f)T H-1 (grad f)
*/
/*
* This hasn't worked. so will do it heuristically. One issue is that the newton
* This hasn't worked. so will do it heuristically. One issue is that the Newton
* direction is not the inverse of the Hessian times the gradient. The Hessian
* is the matrix squared. Until I have the inverse of the Hessian from QR factorization
* I may not be able to do it this way.
@ -1467,8 +1467,8 @@ void NonlinearSolver::setupDoubleDogleg()
/*
* Heuristic algorithm - Find out where on the Newton line the residual is the same
* as the residual at the cauchy point. Then, go halfway to
* the newton point and call that Nuu.
* as the residual at the Cauchy point. Then, go halfway to
* the Newton point and call that Nuu.
* Maybe we need to check that the linearized residual is
* monotonic along that line. However, we haven't needed to yet.
*/
@ -2443,15 +2443,15 @@ int NonlinearSolver::decideStep(const doublereal time_curr, int leg, doublereal
// Calculate the initial (R**2 * neq) value for the old function
doublereal normResid0_2 = m_normResid_0 * m_normResid_0 * neq_;
// Calculate the distance to the cauchy point
// Calculate the distance to the Cauchy point
doublereal cauchyDistanceNorm = solnErrorNorm(DATA_PTR(deltaX_CP_));
// This is the expected initial rate of decrease in the cauchy direction.
// This is the expected initial rate of decrease in the Cauchy direction.
// -> This is Eqn. 29 = Rhat dot Jhat dy / || d ||
doublereal funcDecreaseSDExp = RJd_norm_ / cauchyDistanceNorm * lambdaStar_;
if (funcDecreaseSDExp > 0.0) {
if (m_print_flag >= 5) {
printf("\t\tdecideStep(): Unexpected condition -> cauchy slope is positive\n");
printf("\t\tdecideStep(): Unexpected condition -> Cauchy slope is positive\n");
}
}
@ -2711,7 +2711,7 @@ int NonlinearSolver::solve_nonlinear_problem(int SolnType, doublereal* const y_c
}
} else {
if (m_print_flag > 1) {
printf("\t solve_nonlinear_problem(): Solving system with old jacobian\n");
printf("\t solve_nonlinear_problem(): Solving system with old Jacobian\n");
}
}
/*
@ -2736,7 +2736,7 @@ int NonlinearSolver::solve_nonlinear_problem(int SolnType, doublereal* const y_c
}
/*
* Scale the matrix and the rhs, if they aren't already scaled
* Scale the matrix and the RHS, if they aren't already scaled
* Figure out and store the residual scaling factors.
*/
scaleMatrix(jac, DATA_PTR(m_y_n_curr), DATA_PTR(m_ydot_n_curr), time_curr, num_newt_its);
@ -2873,12 +2873,12 @@ int NonlinearSolver::solve_nonlinear_problem(int SolnType, doublereal* const y_c
/*
* Impose the minimum number of newton iterations criteria
* Impose the minimum number of Newton iterations criteria
*/
if (num_newt_its < m_min_newt_its) {
if (retnDamp > NSOLN_RETN_CONTINUE) {
if (m_print_flag > 2) {
printf("\t solve_nonlinear_problem(): Damped Newton successful (m=%d) but minimum newton"
printf("\t solve_nonlinear_problem(): Damped Newton successful (m=%d) but minimum Newton"
"iterations not attained. Resolving ...\n", retnDamp);
}
retnDamp = NSOLN_RETN_CONTINUE;
@ -2886,12 +2886,12 @@ int NonlinearSolver::solve_nonlinear_problem(int SolnType, doublereal* const y_c
}
/*
* Impose max newton iteration
* Impose max Newton iteration
*/
if (num_newt_its > maxNewtIts_) {
retnDamp = NSOLN_RETN_MAXIMUMITERATIONSEXCEEDED;
if (m_print_flag > 1) {
printf("\t solve_nonlinear_problem(): Damped newton unsuccessful (max newts exceeded) sfinal = %g\n",
printf("\t solve_nonlinear_problem(): Damped Newton unsuccessful (max newts exceeded) sfinal = %g\n",
stepNorm_1);
}
}
@ -3173,7 +3173,7 @@ void NonlinearSolver::print_solnDelta_norm_contrib(const doublereal* const step_
*
* This routine is used in numerical differencing schemes in order
* to avoid roundoff errors resulting in creating Jacobian terms.
* Note: This is a slow routine. However, jacobian errors may cause
* Note: This is a slow routine. However, Jacobian errors may cause
* loss of convergence. Therefore, in practice this routine has proved cost-effective.
*
* @param a Value of a
@ -3213,7 +3213,7 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
J.clearFactorFlag();
if (m_jacFormMethod == NSOLN_JAC_ANAL) {
/********************************************************************
* Call the function to get a jacobian.
* Call the function to get a Jacobian.
*/
info = m_func->evalJacobian(time_curr, delta_t_n, CJ, y, ydot, J, f);
m_nJacEval++;
@ -3227,7 +3227,7 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
* Generic algorithm to calculate a numerical Jacobian
*/
/*
* Calculate the current value of the rhs given the
* Calculate the current value of the RHS given the
* current conditions.
*/
@ -3254,7 +3254,7 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
if (m_print_flag >= 7) {
if (retn != 1) {
printf("\t\t beuler_jac ERROR! calcDeltaSolnVariables() returned an error flag\n");
printf("\t\t We will bail from the nonlinear solver after calculating the jacobian");
printf("\t\t We will bail from the nonlinear solver after calculating the Jacobian");
}
if (neq_ < 20) {
printf("\t\tUnk m_ewt y dyVector ResN\n");
@ -3354,7 +3354,7 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
if (m_print_flag >= 7) {
if (retn != 1) {
printf("\t\t beuler_jac ERROR! calcDeltaSolnVariables() returned an error flag\n");
printf("\t\t We will bail from the nonlinear solver after calculating the jacobian");
printf("\t\t We will bail from the nonlinear solver after calculating the Jacobian");
}
if (neq_ < 20) {
printf("\t\tUnk m_ewt y dyVector ResN\n");
@ -3460,7 +3460,7 @@ int NonlinearSolver::beuler_jac(GeneralMatrix& J, doublereal* const f,
}
}
/*
* Make a copy of the data. Note, this jacobian copy occurs before any matrix scaling operations.
* Make a copy of the data. Note, this Jacobian copy occurs before any matrix scaling operations.
* It's the raw matrix producted by this routine.
*/
*jacCopyPtr_ = J;

8
src/numerics/solveProb.cpp
View file

@ -185,13 +185,13 @@ int solveProb::solve(int ifunc, doublereal time_scale,
}
} else {
/* make steady state calc a step of 1 million seconds to
prevent singular jacobians for some pathological cases */
prevent singular Jacobians for some pathological cases */
inv_t = 1.0e-6;
}
deltaT = 1.0/inv_t;
/*
* Call the routine to numerically evaluation the jacobian
* Call the routine to numerically evaluation the Jacobian
* and residual for the current iteration.
*/
resjac_eval(m_JacCol, DATA_PTR(m_resid), DATA_PTR(m_CSolnSP),
@ -215,7 +215,7 @@ int solveProb::solve(int ifunc, doublereal time_scale,
if (m_ioflag > 1) {
printIterationHeader(m_ioflag, damp, inv_t, t_real, iter, do_time);
/*
* Print out the residual and jacobian
* Print out the residual and Jacobian
*/
printResJac(m_ioflag, m_neq, m_Jac, DATA_PTR(m_resid),
DATA_PTR(m_wtResid), resid_norm);
@ -618,7 +618,7 @@ void solveProb::print_header(int ioflag, int ifunc, doublereal time_scale,
printf("\n SOLVEPROB Called to calculate steady state residual\n");
printf(" from a good initial guess\n");
} else if (ifunc == SOLVEPROB_JACOBIAN) {
printf("\n SOLVEPROB Called to calculate steady state jacobian\n");
printf("\n SOLVEPROB Called to calculate steady state Jacobian\n");
printf(" from a good initial guess\n");
} else if (ifunc == SOLVEPROB_TRANSIENT) {
printf("\n SOLVEPROB Called to integrate surface in time\n");

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