CalculationTmu.cpp

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/*
 * Thermal-FIST package
 * 
 * Copyright (c) 2014-2018 Volodymyr Vovchenko
 *
 * GNU General Public License (GPLv3 or later)
 */
#include <string.h>
#include <fstream>
#include <iostream>
#include <iomanip>
#include <ctime>
#include <cstdio>

#include "HRGBase.h"
#include "HRGEV.h"
#include "HRGFit.h"
#include "HRGVDW.h"

#include "ThermalFISTConfig.h"

using namespace std;

#ifdef ThermalFIST_USENAMESPACE
using namespace thermalfist;
#endif

// Calculates equation of state, particle yields and fluctuations at a given set of T-mu values
// Usage: CalculationTmu
int main(int argc, char *argv[])
{
    int ModelType = 1; // 0 - Ideal HRG, 1 - QvdW HRG (from 1609.03975)
    if (argc > 1)
        ModelType = atoi(argv[1]);

    std::string prefix = "QvdW-HRG";
    if (ModelType != 1)
        prefix = "IdealHRG";
    
    // Fill the T-mu values where calculations should be performed
    vector<double> Tvalues, muvalues;

    // Here done by hand
    // Alternatively one can read those from external file, or populate in a loop, etc.
    // Note that all energy units are in GeV!
    // 1
    Tvalues.push_back(0.100); muvalues.push_back(0.600);
    // 2
    Tvalues.push_back(0.130); muvalues.push_back(0.500);
    // 3
    Tvalues.push_back(0.160); muvalues.push_back(0.000);


    // Create the hadron list instance and read the list from file


    //ThermalParticleSystem TPS(string(ThermalFIST_INPUT_FOLDER) + "/list/thermus23mod/list.dat"); // <-- modified THERMUS-2.3 list
    ThermalParticleSystem TPS(string(ThermalFIST_INPUT_FOLDER) + "/list/PDG2014/list.dat");  // <-- Default list, no light nuclei
    //ThermalParticleSystem TPS(string(ThermalFIST_INPUT_FOLDER) + "/list/PDG2014/list-withnuclei.dat");  // <-- Default list, with light nuclei

    // Create the ThermalModel instance
    // Choose the class which fits the required variant of HRG model
    //ThermalModelIdeal model(&TPS);
    //ThermalModelCanonical model(&TPS);
    ThermalModelBase *model;
    if (ModelType == 1) // QvdW-HRG
    {
        model = new ThermalModelVDWFull(&TPS);

        // Set the QvdW interaction parameters
        // As in 1609.03975, here we consider (anti)baryon-(anti)baryon interactions only
        double a = 0.329;
        double b = 3.42;

        // Loop over all hadron-hadron pairs to set a and b for each of these pairs
        for (int i1 = 0; i1 < model->TPS()->Particles().size(); ++i1) {
            for (int i2 = 0; i2 < model->TPS()->Particles().size(); ++i2) {
                const ThermalParticle &part1 = model->TPS()->Particles()[i1];
                const ThermalParticle &part2 = model->TPS()->Particles()[i2];

                int B1 = part1.BaryonCharge();
                int B2 = part2.BaryonCharge();

                // Or use pdgid's to identify the two particles
                //int pdgid1 = part1.PdgId();
                //int pdgid2 = part2.PdgId();

                // Meson-meson, meson-baryon, baryon-antibaryon non-interacting
                if (!(B1 * B2 > 0)) {

                    model->SetVirial(i1, i2, 0.); // No repulsion

                    model->SetAttraction(i1, i2, 0.); // No attraction
                    continue;
                }
                else {
                    // BB excluded volume
                    model->SetVirial(i1, i2, b);

                    // BB attraction
                    model->SetAttraction(i1, i2, a);
                }
            }
        }
    }
    else {
        model = new ThermalModelIdeal(&TPS);
    }

    // Use (or not) finite resonance width
    model->SetUseWidth(true);

    // Include (or not) quantum statistics
    model->SetStatistics(true);

    // Output, here on screen, to write into file use, e.g., fprintf
    printf("%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s\n", 
        "T[GeV]", "muB[GeV]", 
        "P[GeV/fm3]", "e[GeV/fm3]", "s[fm-3]", 
        "<K+>", "<pi+>", "<K+>/<pi+>", 
        "w[K+]", "w[pi+]",
        "<N->", "w[N-]",
        "chi3B/chi2B", "chi4B/chi2B",
        "chi3Q/chi2Q", "chi4Q/chi2Q",
        "chi3S/chi2S", "chi4S/chi2S");

    // The same output to file
    std::string filename = prefix + ".CalculationTmu.dat";
    FILE *f = fopen(filename.c_str(), "w");
    fprintf(f, "%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s%15s\n",
        "T[GeV]", "muB[GeV]",
        "P[GeV/fm3]", "e[GeV/fm3]", "s[fm-3]",
        "<K+>", "<pi+>", "<K+>/<pi+>",
        "w[K+]", "w[pi+]",
        "<N->", "w[N-]",
        "chi3B/chi2B", "chi4B/chi2B",
        "chi3Q/chi2Q", "chi4Q/chi2Q",
        "chi3S/chi2S", "chi4S/chi2S");

    // Iterate over all the T-muB pair values
    for (int i = 0; i < Tvalues.size(); ++i) {
        double T   = Tvalues[i];
        double muB = muvalues[i];


        // Set temperature and baryon chemical potential
        model->SetTemperature(T);
        model->SetBaryonChemicalPotential(muB);

        // Constrain muB from strangeness neutrality condition
        model->ConstrainMuS(true);
        // Alternatively set the muS value manually
        // model->ConstrainMuS(false);
        // model->SetStrangenessChemicalPotential(0.);

        // Constrain muq from Q/B = 0.4 condition
        model->ConstrainMuQ(true);
        model->SetQoverB(0.4);
        // Alternatively set the muQ value manually
        //model->ConstrainMuQ(false);
        //model->SetElectricChemicalPotential(0.);

        // Chemical non-equilbrium parameters
        model->SetGammaq(1.);
        model->SetGammaS(1.);
        
        // Set volume
        model->SetVolumeRadius(3.); // System radius R in fm, volume is V = (4/3) * \pi * R^3
        //model->SetVolume(5000.); //<-- Alternative, volume V in fm^3


        // Determine muS and/or muQ from constraints, if there are any
        model->FixParameters();

        // Calculate all hadron densities, both primordial and final
        model->CalculateDensities();

        // Calculate fluctuations
        model->CalculateFluctuations();

        // Equation of state parameters
        double p = model->CalculatePressure();       // Pressure in GeV/fm3
        double e = model->CalculateEnergyDensity();  // Energy density in GeV/fm3
        double s = model->CalculateEntropyDensity(); // Entropy density in fm-3

        // Calculate final yields, 
        // Usage: model->GetDensity(pdgid, feeddown)
        // pdgid -- PDG code for the desired particle species
        // feeddown: 0 - primordial, 1 - final, 2 - final with additional feeddown from weak decays
        // yield = density * volume
        double yieldKplus  = model->GetDensity(321, Feeddown::StabilityFlag) * model->Volume();
        double yieldpiplus = model->GetDensity(211, Feeddown::StabilityFlag) * model->Volume();

        // Scaled variance of final state particle number fluctuations
        double wKplus  = model->ScaledVarianceTotal( model->TPS()->PdgToId(321) );
        double wpiplus = model->ScaledVarianceTotal( model->TPS()->PdgToId(211) );

        // Charged particle mean multplicities, after decays
        // Argument: 0 - all charged, 1 - positively charged, 2 - negatively charged
        double Nch    = model->ChargedMultiplicityFinal(0);
        double Nplus  = model->ChargedMultiplicityFinal(1);
        double Nminus = model->ChargedMultiplicityFinal(2);

        // Scaled variance for charged particle multplicity distribution, after decays 
        double wNch    = model->ChargedScaledVarianceFinal(0);
        double wNplus  = model->ChargedScaledVarianceFinal(1);
        double wNminus = model->ChargedScaledVarianceFinal(2);

        // Higher-order fluctuations of conserved charges B, Q, S

        // Array of charges of all particles in the list
        // E.g., if the ith particle has baryon charge 1, then chargesB[i] = 1 etc. 
        vector<double> chargesB(model->Densities().size()), chargesQ(model->Densities().size()), chargesS(model->Densities().size());

        // Array with the values of the calculated susceptibilities
        vector<double> chchis;

        // Baryon number
        for (int i = 0; i < model->TPS()->Particles().size(); ++i) {
            chargesB[i] = model->TPS()->Particles()[i].BaryonCharge();
        }

        // Calculation of susceptibilities chi1-chi4
        chchis = model->CalculateChargeFluctuations(chargesB, 4);
        double chi2B = chchis[1];
        double chi3B = chchis[2];
        double chi4B = chchis[3];

        // Electric charge, same procedure
        for (int i = 0; i < model->TPS()->Particles().size(); ++i) {
            chargesQ[i] = model->TPS()->Particles()[i].ElectricCharge();
        }

        chchis = model->CalculateChargeFluctuations(chargesQ, 4);
        double chi2Q = chchis[1];
        double chi3Q = chchis[2];
        double chi4Q = chchis[3];

        // Strangeness
        for (int i = 0; i < model->TPS()->Particles().size(); ++i) {
            chargesS[i] = model->TPS()->Particles()[i].Strangeness();
        }

        chchis = model->CalculateChargeFluctuations(chargesS, 4);
        double chi2S = chchis[1];
        double chi3S = chchis[2];
        double chi4S = chchis[3];


        printf("%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf\n",
            T,
            muB,
            p,
            e,
            s,
            yieldKplus,
            yieldpiplus,
            yieldKplus/yieldpiplus,
            wKplus,
            wpiplus,
            Nminus,
            wNminus,
            chi3B / chi2B,
            chi4B / chi2B,
            chi3Q / chi2Q,
            chi4Q / chi2Q,
            chi3S / chi2S,
            chi4S / chi2S);

        fprintf(f, "%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf%15lf\n",
            T,
            muB,
            p,
            e,
            s,
            yieldKplus,
            yieldpiplus,
            yieldKplus / yieldpiplus,
            wKplus,
            wpiplus,
            Nminus,
            wNminus,
            chi3B / chi2B,
            chi4B / chi2B,
            chi3Q / chi2Q,
            chi4Q / chi2Q,
            chi3S / chi2S,
            chi4S / chi2S);
    }

    fclose(f);

    delete model;

    return 0;
}