output.cpp

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/* HPhi  -  Quantum Lattice Model Simulator */
/* Copyright (C) 2015 The University of Tokyo */

/* This program is free software: you can redistribute it and/or modify */
/* it under the terms of the GNU General Public License as published by */
/* the Free Software Foundation, either version 3 of the License, or */
/* (at your option) any later version. */

/* This program is distributed in the hope that it will be useful, */
/* but WITHOUT ANY WARRANTY; without even the implied warranty of */
/* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the */
/* GNU General Public License for more details. */

/* You should have received a copy of the GNU General Public License */
/* along with this program.  If not, see <http://www.gnu.org/licenses/>. */
#include "output.hpp"
#include "FileIO.hpp"
#include "wrapperMPI.hpp"



int output(struct BindStruct *X) {

  FILE *fp;
  char sdt[D_FileNameMax];
  long int i, i_max;
  i_max = X->Check.idim_max;

  if (X->Def.iCalcType == FullDiag) {
    switch (X->Def.iCalcModel) {
      case Spin:
      case Hubbard:
      case Kondo:
        sprintf(sdt, "%s_phys_Nup%d_Ndown%d.dat", X->Def.CDataFileHead, X->Def.Nup, X->Def.Ndown);
        break;
      case SpinGC:
      case HubbardGC:
      case KondoGC:
        sprintf(sdt, "%s_phys.dat", X->Def.CDataFileHead);
        break;
      default:
        break;
    }
    if (childfopenMPI(sdt, "w", &fp) != 0) {
      return -1;
    }
    fprintf(fp, "  <H>         <N>        <Sz>       <S2>       <D> \n");
    for (i = 0; i < i_max; i++) {
      fprintf(fp, " %10lf %10lf %10lf %10lf %10lf\n", X->Phys.energy[i], X->Phys.num_up[i]+X->Phys.num_down[i], X->Phys.Sz[i],
              X->Phys.s2[i], X->Phys.doublon[i]);
    }
    fclose(fp);
  }
  else{
    fprintf(stdoutMPI, "Error: output function is used only for FullDiag mode.");
    return -1;
  }

  return 0;
}


int outputHam(struct BindStruct *X){
  long int i=0;
  long int j=0;
  long int imax = X->Check.idim_max;
  long int ihermite=0;
  char cHeader[256];
  FILE *fp;
  char sdt[D_FileNameMax];

#pragma omp parallel for default(none) reduction(+:ihermite) firstprivate(imax) private(i, j) shared(v0)
  for (i=1; i<=imax; i++){
    for (j=1; j<=i; j++){
      if(abs(v0[i][j])>1.0e-13){
        ihermite += 1;
      }
    }
  }

  strcpy(cHeader, "%%%%MatrixMarket matrix coordinate complex hermitian\n");
  sprintf(sdt,"%s_Ham.dat", X->Def.CDataFileHead);
  if(childfopenMPI(sdt,"w",&fp)!=0){
    return -1;
  }
  fprintf(fp, "%s", cHeader);
  fprintf(fp, "%ld %ld %ld \n", imax, imax, ihermite);
  for (i=1; i<=imax; i++){
    for (j=1; j<=i; j++){
      if(abs(v0[i][j])>1.0e-13){
        fprintf(fp, "%ld %ld %lf %lf\n",i,j,real(v0[i][j]),imag(v0[i][j]));
      }
    }
  }
  fclose(fp);
  return 0;
}