Add S(q,t) executable for Heis

Makefile

@@ -25,7 +25,7 @@ BINDIR = $(BASEDIR)bin/
 # Set the compiler choice
 #CXX = g++
 #CXX = /usr/local/bin/g++
-CXX = /usr/local/Cellar/gcc@7/7.4.0/bin/g++-7
+CXX = /usr/local/Cellar/gcc@7/7.5.0/bin/g++-7
 # On OS X, using a separate installation of llvm tools:
 # CXX = /usr/local/opt/llvm/bin/clang++ -Xpreprocessor -fopenmp -lomp -L/usr/local/opt/llvm/lib:lib/ -I/usr/local/opt/llvm/include
 # CXX = clang++ -Weverything -ferror-limit=1
@@ -143,6 +143,7 @@ lib$(VERSION).a : $(Objects_ALL)
 	$(COMPILE) $(EXECSDIR)Heis_DSF.cc -o $(BINDIR)Heis_DSF -l$(VERSION)
 	$(COMPILE) $(EXECSDIR)Heis_DSF_GeneralState.cc -o $(BINDIR)Heis_DSF_GeneralState -l$(VERSION)
 	$(COMPILE) $(EXECSDIR)Smoothen_Heis_DSF.cc -o $(BINDIR)Smoothen_Heis_DSF -l$(VERSION)
+	$(COMPILE) $(EXECSDIR)Heis_Fourier_to_Sqt.cc -o $(BINDIR)Heis_Fourier_to_Sqt -l$(VERSION)
 	$(COMPILE) $(EXECSDIR)XXZ_gpd_StagSz_h0.cc -o $(BINDIR)XXZ_gpd_StagSz_h0 -l$(VERSION)
 #	$(COMPILE) $(EXECSDIR)ODSLF_DSF.cc -o $(BINDIR)ODSLF_DSF -l$(VERSION)
 #	$(COMPILE) $(EXECSDIR)Smoothen_ODSLF_DSF.cc -o $(BINDIR)Smoothen_ODSLF_DSF -l$(VERSION)

include/ABACUS_Scan.h

@@ -156,6 +156,7 @@ namespace ABACUS {
 			   DP ommin, DP ommax, int Nom, DP gwidth, DP normalization, DP denom_sum_K);
   void Write_K_File (DP Length, int iKmin, int iKmax);
   void Write_Omega_File (int Nout_omega, DP omegamin, DP omegamax);
+  void Write_Time_File (int Nt, DP tmin, DP tmax);
   // Smoothen with gaussian width scaled with two-particle bandwidth
   DP Smoothen_RAW_into_SF_LiebLin_Scaled (std::string prefix, DP L, int N, int iKmin, int iKmax, int DiK, DP ommin, DP ommax, int Nom, DP width, DP normalization);
 

src/EXECS/Heis_Fourier_to_Sqt.cc

@@ -0,0 +1,116 @@
+/**********************************************************
+
+This software is part of J.-S. Caux's ABACUS library.
+
+Copyright (c) J.-S. Caux.
+
+-----------------------------------------------------------
+
+File:  Heis_Fourier_to_Sqt.cc
+
+Purpose:  Fourier transform to q and t-dependent correlator for Heis
+
+***********************************************************/
+
+#include "ABACUS.h"
+
+using namespace std;
+using namespace ABACUS;
+
+int main(int argc, char* argv[])
+{
+  if (argc != 10) { // Print out instructions
+    cout << "Usage of Heis_Fourier_to_Sqt executable: " << endl << endl;
+    cout << "Provide arguments using one of the following options:" << endl << endl;
+    cout << "whichDSF Delta N M iKmin iKmax devmax Npts_t tmax" << endl << endl;
+  }
+
+  else {
+    int index = 1;
+    char whichDSF = *argv[index++];
+    DP Delta = atof(argv[index++]);
+    int N = atoi(argv[index++]);
+    int M = atoi(argv[index++]);
+    int iKmin = atoi(argv[index++]);
+    int iKmax = atoi(argv[index++]);
+    DP devmax = atof(argv[index++]);
+    int Npts_t = atoi(argv[index++]);
+    DP tmax = atof(argv[index++]);
+
+    stringstream filenameprefix;
+    Data_File_Name (filenameprefix, whichDSF, Delta, N, M, iKmin, iKmax, 0.0, 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... ");
+    }
+
+    RecMat<complex<DP> > FT(Npts_t + 1, iKmax - iKmin + 1);
+
+    DP omega;
+    int iK;
+    DP FF;
+    DP dev;
+    string label;
+
+    // Now define time coordinates: between 0 and tmax
+    Vect_DP tlattice(Npts_t + 1);
+    for (int i = 0; i <= Npts_t; ++i) tlattice[i] = i * tmax/Npts_t;
+
+    while (RAW_infile.peek() != EOF) {
+      RAW_infile >> omega >> iK >> FF >> dev >> label;
+      for (int it = 0; it < Npts_t; ++it)
+	FT[it][iK] += FF * FF * exp(II * omega * tlattice[it]);
+    }
+    RAW_infile.close();
+
+
+    // Output to files:
+
+    Write_K_File (N, iKmin, iKmax);
+    Write_Time_File (Npts_t + 1, 0.0, tmax);
+
+    stringstream FTre_stringstream;    string FTre_string;
+    FTre_stringstream << prefix << "_Sqt_tmin_" << 0 << "_tmax_" << tmax << "_Nt_" << Npts_t << ".dat_re";
+    FTre_string = FTre_stringstream.str();    const char* FTre_Cstr = FTre_string.c_str();
+    ofstream FTre_outfile;
+    FTre_outfile.open(FTre_Cstr);
+    if (FTre_outfile.fail()) ABACUSerror("Could not open FTre_outfile... ");
+
+    stringstream FTim_stringstream;    string FTim_string;
+    FTim_stringstream << prefix << "_Sqt_tmin_" << 0 << "_tmax_" << tmax << "_Nt_" << Npts_t << ".dat_im";
+    FTim_string = FTim_stringstream.str();    const char* FTim_Cstr = FTim_string.c_str();
+    ofstream FTim_outfile;
+    FTim_outfile.open(FTim_Cstr);
+    if (FTim_outfile.fail()) ABACUSerror("Could not open FTim_outfile... ");
+
+
+    for (int iK = iKmin; iK <= iKmax; ++iK) {
+      FTre_outfile << setprecision(16);
+      FTim_outfile << setprecision(16);
+      if (iK > iKmin) {
+	FTre_outfile << endl;
+	FTim_outfile << endl;
+      }
+      FTre_outfile << real(FT[0][iK]);
+      FTim_outfile << real(FT[0][iK]);
+      for (int it = 1; it <= Npts_t; ++it) {
+	FTre_outfile << "\t" << real(FT[it][iK]);
+	FTim_outfile << "\t" << imag(FT[it][iK]);
+      }
+    }
+
+    FTre_outfile.close();
+    FTim_outfile.close();
+
+  }
+
+  return(0);
+}

src/UTILS/K_and_Omega_Files.cc

@@ -65,4 +65,27 @@ namespace ABACUS {
     return;
   }
 
+  void Write_Time_File (int Nt, DP tmin, DP tmax)
+  {
+    stringstream t_file;
+    string t_file_string;
+    t_file << "t_tmin_" << tmin << "_tmax_" << tmax << "_Nt_" << Nt <<  ".dat";
+    t_file_string = t_file.str();
+    const char* t_file_Cstr = t_file_string.c_str();
+
+    ofstream outfile_t;
+
+    outfile_t.open(t_file_Cstr);
+
+    outfile_t.setf(ios::fixed);
+    outfile_t.setf(ios::showpoint);
+    outfile_t.precision(16);
+
+    for (int it = 0; it <= Nt; ++it) outfile_t << tmin + it * (tmax - tmin)/Nt << endl;
+
+    outfile_t.close();
+
+    return;
+  }
+
 } // namespace ABACUS