25 lines
669 B
C++
25 lines
669 B
C++
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#include "Cantera.h"
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#include "spectra.h"
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#include <iostream>
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using namespace std;
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using namespace Cantera;
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int main() {
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double B;
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double T;
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cout << "enter B, T: ";
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cin >> B >> T;
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Rotor* r = new Rotor(B);
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double theta = wnum_to_J(B)/Boltzmann;
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cout << "theta = " << theta << endl;
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double pop, cpop = 0.0;
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for (int j = 0; j < 50; j++) {
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pop = r->population(j, T);
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cpop += pop;
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if (cpop > 0.999) break;
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cout << j << ", " << r->energy_w(j) << ", "
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<< r->frequency(j, j+1) << ", "
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<< pop << ", " << cpop << ", " << r->partitionFunction(T) << ", " << T/theta << endl;
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}
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}
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