doxygen update only - got rid of error messages.
This commit is contained in:
Harry Moffat
parent
6b3912e1dd
commit
8eea473250
2 changed files with 125 additions and 19 deletions
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@ -235,9 +235,17 @@ namespace Cantera {
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{
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}
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//====================================================================================================================
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void MMCollisionInt::init(XML_Writer* xml,
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doublereal tsmin, doublereal tsmax, int log_level) {
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// Initialize the object for calculation
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/*
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*
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* @param xml Pointer to the log file that will receive the debug output
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* messages
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* @param tsmin Minimum value of Tstar to carry out the fitting
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* @param tsmax Maximum value of Tstar to carry out the fitting
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* @param loglevel Set the loglevel for the object. The default
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* loglevel is zero, indicating no output.
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*/
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void MMCollisionInt::init(XML_Writer* xml, doublereal tsmin, doublereal tsmax, int log_level) {
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#ifdef DEBUG_MODE
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if (!xml) {
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throw CanteraError("MMCollisionInt::init", "pointer to xml file is zero");
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@ -355,11 +363,9 @@ namespace Cantera {
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#endif
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}
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}
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//====================================================================================================================
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doublereal MMCollisionInt::fitDelta(int table, int ntstar,
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int degree, doublereal* c) {
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doublereal MMCollisionInt::fitDelta(int table, int ntstar, int degree, doublereal* c) {
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vector_fp w(8);
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doublereal* begin = 0;
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int ndeg=0;
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@ -378,6 +384,7 @@ namespace Cantera {
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w[0] = -1.0;
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return polyfit(8, delta, begin, DATA_PTR(w), degree, ndeg, 0.0, c);
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}
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//====================================================================================================================
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doublereal MMCollisionInt::omega22(double ts, double deltastar) {
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int i;
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@ -398,6 +405,7 @@ namespace Cantera {
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return quadInterp(log(ts), DATA_PTR(m_logTemp)
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+ i1, DATA_PTR(values));
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}
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//====================================================================================================================
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doublereal MMCollisionInt::astar(double ts, double deltastar) {
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int i;
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@ -418,6 +426,7 @@ namespace Cantera {
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return quadInterp(log(ts), DATA_PTR(m_logTemp)
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+ i1, DATA_PTR(values));
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}
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//====================================================================================================================
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doublereal MMCollisionInt::bstar(double ts, double deltastar) {
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@ -439,7 +448,7 @@ namespace Cantera {
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return quadInterp(log(ts), DATA_PTR(m_logTemp) + i1,
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DATA_PTR(values));
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}
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//====================================================================================================================
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doublereal MMCollisionInt::cstar(double ts, double deltastar) {
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int i;
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@ -458,8 +467,10 @@ namespace Cantera {
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else values[i-i1] = poly5(deltastar, DATA_PTR(m_cpoly[i]));
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}
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return quadInterp(log(ts), DATA_PTR(m_logTemp) + i1,
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DATA_PTR(values)); }
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DATA_PTR(values));
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}
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//====================================================================================================================
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void MMCollisionInt::fit_omega22(ostream& logfile, int degree,
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doublereal deltastar, doublereal* o22)
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@ -488,6 +499,7 @@ namespace Cantera {
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}
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#endif
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}
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//====================================================================================================================
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void MMCollisionInt::fit(ostream& logfile, int degree,
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doublereal deltastar, doublereal* a, doublereal* b, doublereal* c)
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@ -551,9 +563,9 @@ namespace Cantera {
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}
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#endif
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}
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//====================================================================================================================
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} // namespace
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//======================================================================================================================
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@ -28,14 +28,25 @@ namespace Cantera {
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class XML_Writer;
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//! Error handler class for collision integrals
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/*!
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* This class doesn't
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*/
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class MMCollisionIntError {
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public:
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//! Constructor
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/*!
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* @param logfile ostream reference for writing out errors
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* @param msg error message
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*/
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MMCollisionIntError(std::ostream& logfile, std::string msg) {
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logfile << "#### ERROR ####" << std::endl;
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logfile << "MMCollisionInt: " << msg << std::endl;
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std::cerr << "Error in fitting collision integrals. "
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<< "Execution terminated." << std::endl
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<< "See transport log file for more information." << std::endl;
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<< "Execution terminated." << std::endl
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<< "See transport log file for more information." << std::endl;
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}
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};
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@ -70,44 +81,127 @@ namespace Cantera {
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* @param loglevel Set the loglevel for the object. The default
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* loglevel is zero, indicating no output.
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*/
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void init(XML_Writer* xml, doublereal tsmin,
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doublereal tsmax, int loglevel = 0);
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void init(XML_Writer* xml, doublereal tsmin, doublereal tsmax, int loglevel = 0);
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//! omega22
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/*!
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* @param ts
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* @param deltastar
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*/
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doublereal omega22(double ts, double deltastar);
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//! astar
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/*!
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* @param ts
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* @param deltastar
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*/
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doublereal astar(double ts, double deltastar);
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//! bstar
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/*!
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* @param ts
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* @param deltastar
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*/
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doublereal bstar(double ts, double deltastar);
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//! cstar
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/*!
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* @param ts
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* @param deltastar
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*/
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doublereal cstar(double ts, double deltastar);
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//! fit
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/*!
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* @param logfile
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* @param degree
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* @param deltastar
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* @param astar
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* @param bstar
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* @param cstar
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*/
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void fit(std::ostream& logfile, int degree, doublereal deltastar,
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doublereal* astar, doublereal* bstar, doublereal* cstar);
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//! fit_omega22
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/*!
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* @param logfile
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* @param degree
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* @param deltastar
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* @param om22
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*/
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void fit_omega22(std::ostream& logfile, int degree, doublereal deltastar, doublereal* om22);
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//! omega11
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/*!
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* @param ts
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* @param deltastar
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*/
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doublereal omega11(double ts, double deltastar) {
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return omega22(ts, deltastar)/astar(ts, deltastar);
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}
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private:
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doublereal fitDelta(int table, int ntstar,
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int degree, doublereal* c);
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//! Fit delta
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/*!
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* @param table
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* @param ntstar
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* @param degree
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* @param c C is probable the output vector
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*
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* @return
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*/
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doublereal fitDelta(int table, int ntstar, int degree, doublereal* c);
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//! m_o22poly
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std::vector<vector_fp> m_o22poly;
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//! m_apoly
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std::vector<vector_fp> m_apoly;
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//! m_bpoly
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std::vector<vector_fp> m_bpoly;
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//! m_cpoly
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std::vector<vector_fp> m_cpoly;
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//! delta
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static doublereal delta[8];
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//! tstar22
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static doublereal tstar22[37];
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//! Table of omega22 values from MM
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static doublereal omega22_table[37*8];
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//! tstar
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/*!
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* table of tstar values
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*/
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static doublereal tstar[39];
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//! astar table from MM
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static doublereal astar_table[39*8];
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//! bstar table from MM
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static doublereal bstar_table[39*8];
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//! cstar table from MM
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static doublereal cstar_table[39*8];
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//! Log temp
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vector_fp m_logTemp;
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int m_nmin, m_nmax;
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//! nmin
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int m_nmin;
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//! nmax
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int m_nmax;
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//! XML_Writer pointer
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XML_Writer* m_xml;
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//! loglevel
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int m_loglevel;
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};
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}
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