CalcByFullDiag.cpp File Reference

#include "CalcByFullDiag.hpp"
#include "input.hpp"
#include "wrapperMPI.hpp"
#include "CalcTime.hpp"
#include "mltplyCommon.hpp"
#include "mltply.hpp"

Go to the source code of this file.

Functions
int	CalcByFullDiag (struct EDMainCalStruct *X)
	Parent function for FullDiag mode. More...

Function Documentation

CalcByFullDiag()

int CalcByFullDiag

(

struct EDMainCalStruct *

X

)

Parent function for FullDiag mode.

Parameters

X	[in,out] Struct to get information about file header names, dimension of hirbert space, calc type, physical quantities.

Return values

TRUE(=1)	normally finished.
FALSE(=0)	abnormally finished.

Definition at line 27 of file CalcByFullDiag.cpp.

References EDMainCalStruct::Bind, BindStruct::Check, BindStruct::Def, CheckList::idim_max, DefineList::iInputHam, inputHam(), DefineList::iOutputHam, lapack_diag(), mltply(), output(), outputHam(), phys(), DefineList::St, StartTimer(), stdoutMPI, StopTimer(), v0, v1, and zclear().

Referenced by main().

{
  int iret=0;
  long int idim;

  fprintf(stdoutMPI, "%s", "######  Start: Setting Hamiltonian.  ######\n\n");
  StartTimer(5100);
  if(X->Bind.Def.iInputHam==FALSE){
    zclear((X->Bind.Check.idim_max + 1)*X->Bind.Check.idim_max, &v0[0][0]);
    zclear((X->Bind.Check.idim_max + 1)*X->Bind.Check.idim_max, &v1[0][0]);
    for (idim = 1; idim <= X->Bind.Check.idim_max; idim++) v1[idim][idim-1] = 1.0;
    mltply(&(X->Bind), X->Bind.Check.idim_max, v0, v1);
  }
  else if(X->Bind.Def.iInputHam==TRUE){
    fprintf(stdoutMPI, "%s", "######  Start: Input Hamiltonian.  ######\n\n");
    inputHam(&(X->Bind));
    fprintf(stdoutMPI, "%s", "######  End  : Input Hamiltonian.  ######\n\n");
  }
  StopTimer(5100);
  fprintf(stdoutMPI, "%s", "######  End  : Setting Hamiltonian.  ######\n\n");
  if(iret != 0) return FALSE;


  if(X->Bind.Def.iOutputHam == TRUE){
    fprintf(stdoutMPI, "%s", "######  Start: Output Hamiltonian.  ######\n\n");
    StartTimer(5500);
    iret=outputHam(&(X->Bind));
    StopTimer(5500);
    fprintf(stdoutMPI, "%s", "######  End  : Output Hamiltonian.  ######\n\n");
    if(iret != 0) return FALSE;
    return TRUE;
  }

  fprintf(stdoutMPI, "%s", "######  Start: Diagonalization.  ######\n\n");
  StartTimer(5200);
  iret=lapack_diag(&(X->Bind));
  StopTimer(5200);
  fprintf(stdoutMPI, "%s", "######  End  : Diagonalization.  ######\n\n");
  if(iret != 0) return FALSE;

  X->Bind.Def.St=0;
  fprintf(stdoutMPI, "%s", "######  Start: Calc Expected value.  ######\n\n");
  StartTimer(5300);
  phys(&(X->Bind), X->Bind.Check.idim_max);
  StopTimer(5300);
  fprintf(stdoutMPI, "%s", "######  End  : Calc Expected value.  ######\n\n");

  StartTimer(5400);
  iret=output(&(X->Bind));
  StopTimer(5400);  
  fprintf(stdoutMPI, "%s", "######  Finish Calculation.  ######\n");
  if(iret != 0) return FALSE;

  return TRUE;
}