ABACUS/src/EXECS/Smoothen_LiebLin_DSF_Scaled.cc

/**********************************************************

This software is part of J.-S. Caux's ABACUS library.

Copyright (c) J.-S. Caux.

-----------------------------------------------------------

File:  Smoothen_LiebLin_DSF_Scaled.cc

Purpose:  produces .dsfs and .ssf files from a .raw file

***********************************************************/

#include "ABACUS.h"

using namespace std;
using namespace ABACUS;


int main(int argc, char* argv[])
{
  if (argc != 13) { // Print out instructions

    cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
    cout << endl << "Usage of Smoothen_LiebLin_DSF_Scaled executable: " << endl;
    cout << endl << "Provide the following arguments:" << endl << endl;
    cout << "char whichDSF \t\t Which structure factor should be calculated ?  Options are:  d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
    cout << "DP c_int \t\t Value of the interaction parameter" << endl;
    cout << "DP L \t\t\t Length of the system" << endl;
    cout << "int N \t\t\t Number of particles" << endl;
    cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers" << endl;
    cout << "DP kBT \t\t Temperature" << endl;
    cout << "int DiK \t\t\t Window of iK over which DSF is averaged (DiK == 0 means a single iK is used; DiK == 1 means 3 are used (iK-1, iK, iK+1), etc.)" << endl;
    cout << "DP ommin" << endl << "DP ommax \t\t Min and max frequencies to cover in smoothened DSF" << endl;
    cout << "Nom \t\t\t Number of frequency points used for discretization" << endl;
    cout << "DP width \t\t Gaussian width used in smoothing, in units of two-particle level spacing" << endl;

    cout << endl << "EXAMPLE: " << endl << endl;
    cout << "Smoothen_LiebLin_DSF d 1.0 100.0 100 0 200 5.0 1 0.0 10.0 500 2.0" << endl << endl;

  }

  else if (argc == 13) { // !fixed_iK
    char whichDSF = *argv[1];
    DP c_int = atof(argv[2]);
    DP L = atof(argv[3]);
    int N = atoi(argv[4]);
    int iKmin = atoi(argv[5]);
    int iKmax = atoi(argv[6]);
    DP kBT = atof(argv[7]);
    int DiK = atoi(argv[8]);
    DP ommin = atof(argv[9]);
    DP ommax = atof(argv[10]);
    int Nom = atoi(argv[11]);
    DP width = atof(argv[12]);

    stringstream filenameprefix;
    //void Data_File_Name (stringstream& name, char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, DP L2)
    Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
    string prefix = filenameprefix.str();

    DP normalization = twoPI * L;
    //DP denom_sum_K = L;

    Write_K_File (L, iKmin, iKmax);
    Write_Omega_File (Nom, ommin, ommax);
    //cout << "Smoothing:  sumcheck = " << Smoothen_RAW_into_SF (prefix, iKmin, iKmax, ommin, ommax, Nom, width, normalization) << endl;
    // We use the scaled width function as default:

    DP sumcheck;
    //if (kBT < 0.1)
    sumcheck = Smoothen_RAW_into_SF_LiebLin_Scaled (prefix, L, N, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization);
    //sumcheck = Smoothen_RAW_into_SF (prefix, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization, denom_sum_K);
      //else sumcheck = Smoothen_RAW_into_SF (prefix, iKmin, iKmax, ommin, ommax, Nom, width, normalization);
    //cout << "Smoothing:  sumcheck = " << sumcheck << endl;
  }

  //else ABACUSerror("Wrong number of arguments to Smoothen_LiebLin_DSF executable.");

  return(0);
}