/********************************************************** This software is part of J.-S. Caux's ABACUS library. Copyright (c) J.-S. Caux. ----------------------------------------------------------- File: LiebLin_Fourier_to_t_equal_x.cc Purpose: Fourier transform to static space correlator for LiebLin. ***********************************************************/ #include "ABACUS.h" using namespace std; using namespace ABACUS; int main(int argc, char* argv[]) { if (argc != 10) { // provide some info cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl; cout << endl << "Usage of LiebLin_Fourier_to_x_equal_t executable: " << endl; cout << endl << "Provide the following arguments:" << endl << endl; 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; 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 scanned over" << endl; cout << "DP kBT \t\t Temperature" << endl; cout << "int Npts_t \t Number of points in time for the Fourier transform" << endl; cout << "DP t_max \t Max time to be used" << endl; } else { // (argc == 10), correct nr of arguments 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 Npts_t = atoi(argv[8]); DP t_max = atof(argv[9]); // Momentum business: use symmetry if (iKmin != 0) ABACUSerror("LiebLin_Fourier_to_t_equal_x only implemented for raw files with iKmin == 0."); stringstream filenameprefix; Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, ""); string prefix = filenameprefix.str(); stringstream RAW_stringstream; string RAW_string; RAW_stringstream << prefix << ".raw"; RAW_string = RAW_stringstream.str(); const char* RAW_Cstr = RAW_string.c_str(); ifstream RAW_infile; RAW_infile.open(RAW_Cstr); if (RAW_infile.fail()) { cout << RAW_Cstr << endl; ABACUSerror("Could not open RAW_infile... "); } // We also read the f-sumrule file, to correct for missing intensity. stringstream FSR_stringstream; string FSR_string; FSR_stringstream << prefix << ".fsr"; FSR_string = FSR_stringstream.str(); const char* FSR_Cstr = FSR_string.c_str(); ifstream FSR_infile; FSR_infile.open(FSR_Cstr); if (FSR_infile.fail()) { cout << FSR_Cstr << endl; ABACUSerror("Could not open FSR_infile... "); } stringstream SFT_stringstream; string SFT_string; SFT_stringstream << prefix << ".tft"; SFT_string = SFT_stringstream.str(); const char* SFT_Cstr = SFT_string.c_str(); ofstream SFT_outfile; SFT_outfile.open(SFT_Cstr); if (SFT_outfile.fail()) ABACUSerror("Could not open TFT_outfile... "); // First compute the static structure factor from the RAW data: Vect_DP TSF(0.0, Npts_t); DP omega; int iK; DP FF; //int conv; DP dev; string label; // Now define time coordinates: between 0 and t_max Vect_DP tlattice(Npts_t); for (int i = 0; i < Npts_t; ++i) tlattice[i] = (i + 0.5) * t_max/Npts_t; // Now the correlation at t: Vect > FT(0.0, Npts_t); Vect_DP FTre(0.0, Npts_t); Vect_DP FTim(0.0, Npts_t); while (RAW_infile.peek() != EOF) { RAW_infile >> omega >> iK >> FF >> dev >> label; if (iK == 0) for (int it = 0; it < Npts_t; ++it) FT[it] += FF * FF * exp(II * omega * tlattice[it]); else for (int it = 0; it < Npts_t; ++it) FT[it] += 2.0 * FF * FF * exp(II * omega * tlattice[it]); } RAW_infile.close(); // Reset proper normalization: for (int it = 0; it < Npts_t; ++it) { FTre[it] = real(FT[it]); FTim[it] = imag(FT[it]); } // Output to file: for (int it = 0; it < Npts_t; ++it) { if (it > 0) SFT_outfile << endl; SFT_outfile << tlattice[it] << "\t" << FTre[it] << "\t" << FTim[it]; } SFT_outfile.close(); } return(0); }