119 lines
3.6 KiB
C++
119 lines
3.6 KiB
C++
/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: LiebLin_Fourier_to_t_equal_x.cc
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Purpose: Fourier transform to static space correlator for LiebLin.
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***********************************************************/
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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int main(int argc, char* argv[])
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{
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if (argc != 10) { // provide some info
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of LiebLin_Fourier_to_x_equal_t executable: " << endl;
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cout << endl << "Provide the following arguments:" << endl << endl;
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cout << "char whichDSF \t\t Which structure factor ? Options are: d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
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cout << "DP c_int \t\t Value of the interaction parameter" << endl;
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cout << "DP L \t\t\t Length of the system" << endl;
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cout << "int N \t\t\t Number of particles" << endl;
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cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers scanned over" << endl;
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//cout << "DP kBT \t\t Temperature" << endl;
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cout << "RAW file name" << endl;
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cout << "int Npts_t \t Number of points in time for the Fourier transform" << endl;
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cout << "DP t_max \t Max time to be used" << endl;
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}
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else { // (argc == 10), correct nr of arguments
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char whichDSF = *argv[1];
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DP c_int = atof(argv[2]);
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DP L = atof(argv[3]);
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int N = atoi(argv[4]);
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int iKmin = atoi(argv[5]);
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int iKmax = atoi(argv[6]);
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//DP kBT = atof(argv[7]);
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char* rawfilename = argv[7];
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int Npts_t = atoi(argv[8]);
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DP t_max = atof(argv[9]);
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// Momentum business: use symmetry
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if (iKmin != 0) ABACUSerror("LiebLin_Fourier_to_t_equal_x only implemented for raw files with iKmin == 0.");
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ifstream RAW_infile;
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//RAW_infile.open(RAW_Cstr);
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RAW_infile.open(rawfilename);
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if (RAW_infile.fail()) {
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//cout << RAW_Cstr << endl;
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cout << rawfilename << endl;
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ABACUSerror("Could not open RAW_infile... ");
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}
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stringstream SFT_stringstream; string SFT_string;
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SFT_stringstream << rawfilename << "_tft";
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SFT_string = SFT_stringstream.str(); const char* SFT_Cstr = SFT_string.c_str();
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ofstream SFT_outfile;
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SFT_outfile.open(SFT_Cstr);
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if (SFT_outfile.fail()) ABACUSerror("Could not open TFT_outfile... ");
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// First compute the static structure factor from the RAW data:
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Vect_DP TSF(0.0, Npts_t);
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DP omega;
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int iK;
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DP FF;
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//int conv;
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DP dev;
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string label;
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// Now define time coordinates: between 0 and t_max
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Vect_DP tlattice(Npts_t);
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for (int i = 0; i < Npts_t; ++i) tlattice[i] = (i + 0.5) * t_max/Npts_t;
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// Now the correlation at t:
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Vect<complex<DP> > FT(0.0, Npts_t);
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Vect_DP FTre(0.0, Npts_t);
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Vect_DP FTim(0.0, Npts_t);
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while (RAW_infile.peek() != EOF) {
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RAW_infile >> omega >> iK >> FF >> dev >> label;
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if (iK == 0)
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for (int it = 0; it < Npts_t; ++it)
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FT[it] += FF * FF * exp(II * omega * tlattice[it]);
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else
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for (int it = 0; it < Npts_t; ++it)
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FT[it] += 2.0 * FF * FF * exp(II * omega * tlattice[it]);
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}
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RAW_infile.close();
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// Reset proper normalization:
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for (int it = 0; it < Npts_t; ++it) {
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FTre[it] = real(FT[it]);
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FTim[it] = imag(FT[it]);
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}
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// Output to file:
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for (int it = 0; it < Npts_t; ++it) {
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if (it > 0) SFT_outfile << endl;
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SFT_outfile << tlattice[it] << "\t" << FTre[it] << "\t" << FTim[it];
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}
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SFT_outfile.close();
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}
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return(0);
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}
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