ABACUS/src/EXECS/Smoothen_LiebLin_DSF_over_E...

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

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

Copyright (c) J.-S. Caux.

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

File:  Smoothen_LiebLin_DSF_over_Ensemble.cc

Purpose:  produces .dsf and .ssf files from an ensemble of .raw files

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

#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_over_Ensemble 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_over_Ensemble d 1.0 100.0 100 0 200 5.0 1 0.0 10.0 500 2.0" << endl << endl;

  }

  else if (argc == 13) {
    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;
    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);

    // Read the weights from the ensembles file:
    LiebLin_Diagonal_State_Ensemble ensemble;

    stringstream ensfilestrstream;
    ensfilestrstream << "LiebLin_c_int_" << c_int << "_L_" << L << "_N_" << N << "_kBT_" << kBT << ".ens";
    string ensfilestr = ensfilestrstream.str();
    const char* ensfile_Cstr = ensfilestr.c_str();

    ensemble.Load(c_int, L, N, ensfile_Cstr);

    // Define the raw file names
    Vect<string> rawfilename(ensemble.nstates);

    for (int ns = 0; ns < ensemble.nstates; ++ns) {
      // Define the raw input file name:
      stringstream filenameprefix;
      Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, 0.0, ensemble.state[ns], ensemble.state[ns], ensemble.state[ns].label);
      string prefix = filenameprefix.str();
      stringstream RAW_stringstream;    string RAW_string;
      RAW_stringstream << prefix << ".raw";
      rawfilename[ns] = RAW_stringstream.str();
    }

    Smoothen_RAW_into_SF (prefix, rawfilename, ensemble.weight, iKmin, iKmax, DiK, 0.0,
			  ommin, ommax, Nom, width, normalization, denom_sum_K);

  }

  return(0);
}