64 lines
1.1 KiB
C++
64 lines
1.1 KiB
C++
/**
|
|
* @file statmech
|
|
* test problem for statistical mechanics in cantera
|
|
*/
|
|
|
|
// Example
|
|
//
|
|
// Test case for the statistical mechanics in cantera
|
|
//
|
|
|
|
#include <iostream>
|
|
#include <string>
|
|
#include <vector>
|
|
#include <string>
|
|
#include <iomanip>
|
|
|
|
using namespace std;
|
|
|
|
/*****************************************************************/
|
|
/*****************************************************************/
|
|
|
|
#include "Cantera.h"
|
|
#include "transport.h"
|
|
#include "IdealGasMix.h"
|
|
#include "equil.h"
|
|
|
|
#include "TransportFactory.h"
|
|
|
|
using namespace Cantera;
|
|
using namespace Cantera_CXX;
|
|
|
|
int main(int argc, char** argv)
|
|
{
|
|
|
|
try
|
|
{
|
|
int k;
|
|
IdealGasMix g("test_stat.xml");
|
|
int nsp = g.nSpecies();
|
|
double pres = 1.0E5;
|
|
|
|
vector_fp Xset(nsp, 0.0);
|
|
Xset[0] = 0.5 ;
|
|
Xset[1] = 0.5;
|
|
|
|
g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
|
|
equilibrate(g, "TP", -1);
|
|
|
|
vector_fp cp_R(nsp, 0.0);
|
|
g.getCp_R(DATA_PTR(cp_R));
|
|
|
|
|
|
|
|
}
|
|
catch (CanteraError)
|
|
{
|
|
showErrors(cout);
|
|
return 1;
|
|
}
|
|
|
|
// Mark it zero!
|
|
return 0;
|
|
|
|
}
|