output.cpp File Reference

#include "output.hpp"
#include "FileIO.hpp"
#include "wrapperMPI.hpp"

Go to the source code of this file.

Functions
int	output (struct BindStruct *X)
	output function for FullDiag mode More...
int	outputHam (struct BindStruct *X)
	output Hamiltonian only used for FullDiag mode More...

Function Documentation

output()

int output

(

struct BindStruct *

X

)

output function for FullDiag mode

Parameters

[in]

X

Struct to get information about file header names, dimension of hirbert space, calc type, physical quantities.

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 27 of file output.cpp.

References DefineList::CDataFileHead, BindStruct::Check, childfopenMPI(), BindStruct::Def, PhysList::doublon, PhysList::energy, DefineList::iCalcModel, DefineList::iCalcType, CheckList::idim_max, DefineList::Ndown, PhysList::num_down, PhysList::num_up, DefineList::Nup, BindStruct::Phys, PhysList::s2, stdoutMPI, and PhysList::Sz.

Referenced by CalcByFullDiag().

                                 {

  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;
}

outputHam()

int outputHam

(

struct BindStruct *

X

)

output Hamiltonian only used for FullDiag mode

Note

global: [in] Ham

Parameters

[in]

X

Struct to get information about file header names, dimension of hirbert space.

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 73 of file output.cpp.

References DefineList::CDataFileHead, BindStruct::Check, childfopenMPI(), BindStruct::Def, CheckList::idim_max, and v0.

Referenced by CalcByFullDiag().

                                   {
  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;
}