expec_energy_flct.c File Reference

#include "bitcalc.h"
#include "mltplyCommon.h"
#include "mltply.h"
#include "expec_energy_flct.h"
#include "wrapperMPI.h"
#include "CalcTime.h"

Include dependency graph for expec_energy_flct.c:

Go to the source code of this file.

Functions
int	expec_energy_flct (struct BindStruct *X)
	Parent function to calculate expected values of energy and physical quantities. More...
int	expec_energy_flct_HubbardGC (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for Hubbard GC model. More...
int	expec_energy_flct_Hubbard (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for Hubbard model. More...
int	expec_energy_flct_HalfSpinGC (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for Half-SpinGC model. More...
int	expec_energy_flct_GeneralSpinGC (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for General-SpinGC model. More...
int	expec_energy_flct_HalfSpin (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for Half-Spin model. More...
int	expec_energy_flct_GeneralSpin (struct BindStruct *X)
	Calculate expected values of energies and physical quantities for General-Spin model. More...

Function Documentation

expec_energy_flct()

int expec_energy_flct

(

struct BindStruct *

X

)

Parent function to calculate expected values of energy and physical quantities.

Parameters

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

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 34 of file expec_energy_flct.c.

References cExpecEnd, cExpecStart, cFileNameTimeKeep, BindStruct::Check, cLogExpecEnergyEnd, cLogExpecEnergyStart, cTPQExpecEnd, cTPQExpecStart, BindStruct::Def, PhysList::doublon, PhysList::doublon2, PhysList::energy, expec_energy_flct_GeneralSpinGC(), expec_energy_flct_HalfSpinGC(), expec_energy_flct_Hubbard(), expec_energy_flct_HubbardGC(), FALSE, GetSplitBitByModel(), LargeList::i_max, DefineList::iCalcModel, DefineList::iCalcType, CheckList::idim_max, DefineList::iFlgGeneralSpin, LargeList::ihfbit, LargeList::ilft, LargeList::irght, BindStruct::Large, mltply(), LargeList::mode, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, BindStruct::Phys, StartTimer(), stdoutMPI, step_i, StopTimer(), SumMPI_dc(), PhysList::Sz, PhysList::Sz2, TimeKeeper(), TimeKeeperWithStep(), DefineList::Total2SzMPI, v0, v1, and PhysList::var.

Referenced by CalcByLanczos(), CalcByTEM(), CalcByTPQ(), and phys().

                                           {

  long unsigned int i,j;
  long unsigned int irght,ilft,ihfbit;
  double complex dam_pr,dam_pr1;
  long unsigned int i_max;

  switch(X->Def.iCalcType){
  case Lanczos:
    fprintf(stdoutMPI, "%s", cLogExpecEnergyStart);
    TimeKeeper(X, cFileNameTimeKeep, cExpecStart, "a");
    break;
  case TPQCalc:
  case TimeEvolution:
#ifdef _DEBUG
    fprintf(stdoutMPI, "%s", cLogExpecEnergyStart);
    TimeKeeperWithStep(X, cFileNameTimeKeep, cTPQExpecStart, "a", step_i);
#endif
    break;
  case FullDiag:
  case CG:
    break;
  default:
    return -1;
  }

  i_max=X->Check.idim_max;      
  if(GetSplitBitByModel(X->Def.Nsite, X->Def.iCalcModel, &irght, &ilft, &ihfbit)!=0){
    return -1;
  }

  X->Large.i_max    = i_max;
  X->Large.irght    = irght;
  X->Large.ilft     = ilft;
  X->Large.ihfbit   = ihfbit;
  X->Large.mode     = M_ENERGY;
  X->Phys.energy=0.0;

  int nCalcFlct;
  if(X->Def.iCalcType == Lanczos){
    nCalcFlct=4301;
  }
  else if (X->Def.iCalcType == TPQCalc){
    nCalcFlct=3201;
  }
  else{//For FullDiag
    nCalcFlct=5301;
  }
  StartTimer(nCalcFlct);
  
  switch(X->Def.iCalcModel){
  case HubbardGC:
      expec_energy_flct_HubbardGC(X);
  break;
  case KondoGC:
  case Hubbard:
  case Kondo:
      expec_energy_flct_Hubbard(X);
  break;
  
  case SpinGC:
  if(X->Def.iFlgGeneralSpin == FALSE) {
      expec_energy_flct_HalfSpinGC(X);
  }
  else{//for generalspin
      expec_energy_flct_GeneralSpinGC(X);
  }
  break;/*case SpinGC*/
  /* SpinGCBoost */
  case Spin:
    /*
    if(X->Def.iFlgGeneralSpin == FALSE){
      expec_energy_flct_HalfSpin(X);
    }
    else{
      expec_energy_flct_GeneralSpin(X);
    }
     */
      X->Phys.doublon   = 0.0;
      X->Phys.doublon2  = 0.0;
      X->Phys.num       = X->Def.NsiteMPI;
      X->Phys.num2      = X->Def.NsiteMPI*X->Def.NsiteMPI;
      X->Phys.Sz        = 0.5 * (double)X->Def.Total2SzMPI;
      X->Phys.Sz2       = X->Phys.Sz * X->Phys.Sz;
    break;
  default:
    return -1;
  }

  StopTimer(nCalcFlct);       

#pragma omp parallel for default(none) private(i) shared(v1,v0) firstprivate(i_max)
  for(i = 1; i <= i_max; i++){
    v1[i]=v0[i];
    v0[i]=0.0;
  }

  int nCalcExpec;
  if(X->Def.iCalcType == Lanczos){
    nCalcExpec=4302;
  }
  else if (X->Def.iCalcType == TPQCalc){
    nCalcExpec=3202;
  }
  else{//For FullDiag
    nCalcExpec=5302;
  }
  StartTimer(nCalcExpec);
  mltply(X, v0, v1); // v0+=H*v1
  StopTimer(nCalcExpec);
/* switch -> SpinGCBoost */

  dam_pr=0.0;
  dam_pr1=0.0;
  #pragma omp parallel for default(none) reduction(+:dam_pr, dam_pr1) private(j) shared(v0, v1)firstprivate(i_max) 
  for(j=1;j<=i_max;j++){
    dam_pr   += conj(v1[j])*v0[j]; // E   = <v1|H|v1>=<v1|v0>
    dam_pr1  += conj(v0[j])*v0[j]; // E^2 = <v1|H*H|v1>=<v0|v0>
    //v0[j]=v1[j]; v1-> orginal v0=H*v1
  }  
  dam_pr = SumMPI_dc(dam_pr);
  dam_pr1 = SumMPI_dc(dam_pr1);
  //fprintf(stdoutMPI, "Debug: ene=%lf, var=%lf\n", creal(dam_pr), creal(dam_pr1));
  
  X->Phys.energy = dam_pr;
  X->Phys.var    = dam_pr1;

  switch(X->Def.iCalcType) {
    case Lanczos:
      fprintf(stdoutMPI, "%s", cLogExpecEnergyEnd);
      TimeKeeper(X, cFileNameTimeKeep, cExpecEnd, "a");
      break;
    case TPQCalc:
    case TimeEvolution:
#ifdef _DEBUG
      fprintf(stdoutMPI, "%s", cLogExpecEnergyEnd);
      TimeKeeperWithStep(X, cFileNameTimeKeep, cTPQExpecEnd, "a", step_i);
#endif
      break;
    default:
      break;
  }

  return 0;
}

Here is the call graph for this function:

Here is the caller graph for this function:

expec_energy_flct_GeneralSpin()

int expec_energy_flct_GeneralSpin

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for General-Spin model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 621 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, GetLocal2Sz(), CheckList::idim_max, list_1, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, DefineList::SiteToBit, SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

                                                       {
  long unsigned int j;
  long unsigned int isite1;

  double Sz,tmp_Sz, tmp_Sz2;
  double tmp_v02;
  long unsigned int i_max, tmp_list1;
  i_max=X->Check.idim_max;

  // tentative doublon
  tmp_Sz       = 0.0;
  tmp_Sz2      = 0.0;

#pragma omp parallel for reduction(+:tmp_Sz,tmp_Sz2)default(none) shared(v0, list_1)   \
  firstprivate(i_max,X,myrank) private(j,Sz,isite1,tmp_v02, tmp_list1)
  for(j = 1; j <= i_max; j++){
    tmp_v02  = conj(v0[j])*v0[j];
    Sz       = 0.0;
    tmp_list1 = list_1[j];
    for(isite1=1;isite1<=X->Def.NsiteMPI;isite1++){
      //prefactor 0.5 is added later.
      if(isite1 > X->Def.Nsite){
        Sz += GetLocal2Sz(isite1, myrank, X->Def.SiteToBit, X->Def.Tpow);
      }else{
        Sz += GetLocal2Sz(isite1, tmp_list1, X->Def.SiteToBit, X->Def.Tpow);
      }
    }
    tmp_Sz   += Sz*tmp_v02;
    tmp_Sz2  += Sz*Sz*tmp_v02;
  }

  tmp_Sz       = SumMPI_d(tmp_Sz);
  tmp_Sz2      = SumMPI_d(tmp_Sz2);

  X->Phys.doublon   = 0.0;
  X->Phys.doublon2  = 0.0;
  X->Phys.num       = X->Def.NsiteMPI;
  X->Phys.num2      = X->Def.NsiteMPI*X->Def.NsiteMPI;
  X->Phys.Sz        = tmp_Sz*0.5;
  X->Phys.Sz2       = tmp_Sz2*0.25;
  X->Phys.num_up    = 0.5*(X->Def.NsiteMPI+tmp_Sz);
  X->Phys.num_down  = 0.5*(X->Def.NsiteMPI-tmp_Sz);

  return 0;
}

Here is the call graph for this function:

expec_energy_flct_GeneralSpinGC()

int expec_energy_flct_GeneralSpinGC

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for General-SpinGC model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 500 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, GetLocal2Sz(), CheckList::idim_max, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, DefineList::SiteToBit, SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

Referenced by expec_energy_flct().

                                                         {
    long unsigned int j;
    long unsigned int isite1;

    double Sz,tmp_Sz, tmp_Sz2;
    double tmp_v02;
    long unsigned int i_max;
    i_max=X->Check.idim_max;

    // tentative doublon
    tmp_Sz       = 0.0;
    tmp_Sz2      = 0.0;

    for(j = 1; j <= i_max; j++){
        tmp_v02  = conj(v0[j])*v0[j];
        Sz       = 0.0;
        for(isite1=1;isite1<=X->Def.NsiteMPI;isite1++){
            //prefactor 0.5 is added later.
            if(isite1 > X->Def.Nsite){
                Sz += GetLocal2Sz(isite1, myrank, X->Def.SiteToBit, X->Def.Tpow);
            }else{
                Sz += GetLocal2Sz(isite1, j-1, X->Def.SiteToBit, X->Def.Tpow);
            }
        }
        tmp_Sz   += Sz*tmp_v02;
        tmp_Sz2  += Sz*Sz*tmp_v02;
    }

    tmp_Sz       = SumMPI_d(tmp_Sz);
    tmp_Sz2      = SumMPI_d(tmp_Sz2);

    X->Phys.doublon   = 0.0;
    X->Phys.doublon2  = 0.0;
    X->Phys.num       = X->Def.NsiteMPI;
    X->Phys.num2      = X->Def.NsiteMPI*X->Def.NsiteMPI;
    X->Phys.Sz        = tmp_Sz*0.5;
    X->Phys.Sz2       = tmp_Sz2*0.25;
    X->Phys.num_up    = 0.5*(X->Def.NsiteMPI+tmp_Sz);
    X->Phys.num_down  = 0.5*(X->Def.NsiteMPI-tmp_Sz);

    return 0;
}

Here is the call graph for this function:

Here is the caller graph for this function:

expec_energy_flct_HalfSpin()

int expec_energy_flct_HalfSpin

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for Half-Spin model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 548 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, CheckList::idim_max, list_1, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, pop(), SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

                                                    {
  long unsigned int j;
  long unsigned int isite1;
  long unsigned int is1_up_a,is1_up_b;

  long unsigned int ibit1;
  double Sz,tmp_Sz, tmp_Sz2;
  double tmp_v02;
  long unsigned int i_max, tmp_list_1;
  unsigned int l_ibit1,u_ibit1,i_32;
  i_max=X->Check.idim_max;

  i_32 = 0xFFFFFFFF; //2^32 - 1

  // tentative doublon
  tmp_Sz       = 0.0;
  tmp_Sz2      = 0.0;

//[s] for bit count
  is1_up_a = 0;
  is1_up_b = 0;
  for(isite1=1;isite1<=X->Def.NsiteMPI;isite1++){
    if(isite1 > X->Def.Nsite){
      is1_up_a += X->Def.Tpow[isite1 - 1];
    }else{
      is1_up_b += X->Def.Tpow[isite1 - 1];
    }
  }
//[e]
#pragma omp parallel for reduction(+:tmp_Sz,tmp_Sz2)default(none) shared(v0, list_1)   \
  firstprivate(i_max,X,myrank,i_32,is1_up_a,is1_up_b) private(j,Sz,ibit1,isite1,tmp_v02,u_ibit1,l_ibit1, tmp_list_1)
  for(j = 1; j <= i_max; j++){
    tmp_v02  = conj(v0[j])*v0[j];
    Sz       = 0.0;
    tmp_list_1 = list_1[j];

// isite1 > X->Def.Nsite
    ibit1   = (unsigned long int) myrank & is1_up_a;
    u_ibit1 = ibit1 >> 32;
    l_ibit1 = ibit1 & i_32;
    Sz      += pop(u_ibit1);
    Sz      += pop(l_ibit1);
// isite1 <= X->Def.Nsite
    ibit1   = (unsigned long int) tmp_list_1 &is1_up_b;
    u_ibit1 = ibit1 >> 32;
    l_ibit1 = ibit1 & i_32;
    Sz     += pop(u_ibit1);
    Sz     += pop(l_ibit1);
    Sz      = 2*Sz-X->Def.NsiteMPI;

    tmp_Sz   += Sz*tmp_v02;
    tmp_Sz2  += Sz*Sz*tmp_v02;
  }
  tmp_Sz       = SumMPI_d(tmp_Sz);
  tmp_Sz2      = SumMPI_d(tmp_Sz2);

  X->Phys.doublon   = 0.0;
  X->Phys.doublon2  = 0.0;
  X->Phys.num       = X->Def.NsiteMPI;
  X->Phys.num2      = X->Def.NsiteMPI*X->Def.NsiteMPI;
  X->Phys.Sz        = tmp_Sz*0.5;
  X->Phys.Sz2       = tmp_Sz2*0.25;
  X->Phys.num_up    = 0.5*(X->Def.NsiteMPI+tmp_Sz);
  X->Phys.num_down  = 0.5*(X->Def.NsiteMPI-tmp_Sz);

  return 0;
}

Here is the call graph for this function:

expec_energy_flct_HalfSpinGC()

int expec_energy_flct_HalfSpinGC

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for Half-SpinGC model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 428 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, CheckList::idim_max, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, pop(), SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

Referenced by expec_energy_flct().

                                                      {
    long unsigned int j;
    long unsigned int isite1;
    long unsigned int is1_up_a,is1_up_b;

    long unsigned int ibit1;
    double Sz,tmp_Sz, tmp_Sz2;
    double tmp_v02;
    long unsigned int i_max;
    unsigned int l_ibit1,u_ibit1,i_32;
    i_max=X->Check.idim_max;

    i_32 = 0xFFFFFFFF; //2^32 - 1

    // tentative doublon
    tmp_Sz       = 0.0;
    tmp_Sz2      = 0.0;

//[s] for bit count
    is1_up_a = 0;
    is1_up_b = 0;
    for(isite1=1;isite1<=X->Def.NsiteMPI;isite1++){
        if(isite1 > X->Def.Nsite){
            is1_up_a += X->Def.Tpow[isite1 - 1];
        }else{
            is1_up_b += X->Def.Tpow[isite1 - 1];
        }
    }
//[e]
#pragma omp parallel for reduction(+:tmp_Sz,tmp_Sz2)default(none) shared(v0)   \
  firstprivate(i_max,X,myrank,i_32,is1_up_a,is1_up_b) private(j,Sz,ibit1,isite1,tmp_v02,u_ibit1,l_ibit1)
    for(j = 1; j <= i_max; j++){
        tmp_v02  = conj(v0[j])*v0[j];
        Sz       = 0.0;

// isite1 > X->Def.Nsite
        ibit1   = (unsigned long int) myrank & is1_up_a;
        u_ibit1 = ibit1 >> 32;
        l_ibit1 = ibit1 & i_32;
        Sz      += pop(u_ibit1);
        Sz      += pop(l_ibit1);
// isite1 <= X->Def.Nsite
        ibit1   = (unsigned long int) (j-1)&is1_up_b;
        u_ibit1 = ibit1 >> 32;
        l_ibit1 = ibit1 & i_32;
        Sz     += pop(u_ibit1);
        Sz     += pop(l_ibit1);
        Sz      = 2*Sz-X->Def.NsiteMPI;

        tmp_Sz   += Sz*tmp_v02;
        tmp_Sz2  += Sz*Sz*tmp_v02;
    }
    tmp_Sz       = SumMPI_d(tmp_Sz);
    tmp_Sz2      = SumMPI_d(tmp_Sz2);

    X->Phys.doublon   = 0.0;
    X->Phys.doublon2  = 0.0;
    X->Phys.num       = X->Def.NsiteMPI;
    X->Phys.num2      = X->Def.NsiteMPI*X->Def.NsiteMPI;
    X->Phys.Sz        = tmp_Sz*0.5;
    X->Phys.Sz2       = tmp_Sz2*0.25;
    X->Phys.num_up    = 0.5*(X->Def.NsiteMPI+tmp_Sz);
    X->Phys.num_down  = 0.5*(X->Def.NsiteMPI-tmp_Sz);

    return 0;
}

Here is the call graph for this function:

Here is the caller graph for this function:

expec_energy_flct_Hubbard()

int expec_energy_flct_Hubbard

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for Hubbard model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 305 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, CheckList::idim_max, list_1, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, pop(), SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

Referenced by expec_energy_flct().

                                                   {
    long unsigned int j;
    long unsigned int isite1;
    long unsigned int is1_up_a,is1_up_b;
    long unsigned int is1_down_a,is1_down_b;
    int bit_up,bit_down,bit_D;

    long unsigned int ibit_up,ibit_down,ibit_D;
    double D,tmp_D,tmp_D2;
    double N,tmp_N,tmp_N2;
    double Sz,tmp_Sz, tmp_Sz2;
    double tmp_v02;
    long unsigned int i_max,tmp_list_1;
    unsigned int l_ibit1,u_ibit1,i_32;
    i_max=X->Check.idim_max;

    i_32   = (unsigned int)(pow(2,32)-1);

    tmp_D        = 0.0;
    tmp_D2       = 0.0;
    tmp_N        = 0.0;
    tmp_N2       = 0.0;
    tmp_Sz       = 0.0;
    tmp_Sz2      = 0.0;

    //[s] for bit count
    is1_up_a   = 0;
    is1_up_b   = 0;
    is1_down_a = 0;
    is1_down_b = 0;
    for(isite1=1;isite1<=X->Def.NsiteMPI;isite1++){
        if(isite1 > X->Def.Nsite){
            is1_up_a   += X->Def.Tpow[2*isite1 - 2];
            is1_down_a += X->Def.Tpow[2*isite1 - 1];
        }else{
            is1_up_b   += X->Def.Tpow[2*isite1 - 2];
            is1_down_b += X->Def.Tpow[2*isite1 - 1];
        }
    }
//[e]
#pragma omp parallel for reduction(+:tmp_D,tmp_D2,tmp_N,tmp_N2,tmp_Sz,tmp_Sz2) default(none) shared(v0,list_1) \
  firstprivate(i_max, X,myrank,is1_up_a,is1_down_a,is1_up_b,is1_down_b,i_32) \
  private(j, tmp_v02,D,N,Sz,isite1,tmp_list_1,bit_up,bit_down,bit_D,u_ibit1,l_ibit1,ibit_up,ibit_down,ibit_D)
    for(j = 1; j <= i_max; j++) {
        tmp_v02 = conj(v0[j]) * v0[j];
        bit_up = 0;
        bit_down = 0;
        bit_D = 0;
        tmp_list_1 = list_1[j];
// isite1 > X->Def.Nsite
        ibit_up = (unsigned long int) myrank & is1_up_a;
        u_ibit1 = ibit_up >> 32;
        l_ibit1 = ibit_up & i_32;
        bit_up += pop(u_ibit1);
        bit_up += pop(l_ibit1);

        ibit_down = (unsigned long int) myrank & is1_down_a;
        u_ibit1 = ibit_down >> 32;
        l_ibit1 = ibit_down & i_32;
        bit_down += pop(u_ibit1);
        bit_down += pop(l_ibit1);

        ibit_D = (ibit_up) & (ibit_down >> 1);
        u_ibit1 = ibit_D >> 32;
        l_ibit1 = ibit_D & i_32;
        bit_D += pop(u_ibit1);
        bit_D += pop(l_ibit1);

// isite1 <= X->Def.Nsite
        ibit_up = (unsigned long int) tmp_list_1 & is1_up_b;
        u_ibit1 = ibit_up >> 32;
        l_ibit1 = ibit_up & i_32;
        bit_up += pop(u_ibit1);
        bit_up += pop(l_ibit1);

        ibit_down = (unsigned long int) tmp_list_1 & is1_down_b;
        u_ibit1 = ibit_down >> 32;
        l_ibit1 = ibit_down & i_32;
        bit_down += pop(u_ibit1);
        bit_down += pop(l_ibit1);

        ibit_D = (ibit_up) & (ibit_down >> 1);
        u_ibit1 = ibit_D >> 32;
        l_ibit1 = ibit_D & i_32;
        bit_D += pop(u_ibit1);
        bit_D += pop(l_ibit1);

        D = bit_D;
        N = bit_up + bit_down;
        Sz = bit_up - bit_down;

        tmp_D += tmp_v02 * D;
        tmp_D2 += tmp_v02 * D * D;
        tmp_N += tmp_v02 * N;
        tmp_N2 += tmp_v02 * N * N;
        tmp_Sz += tmp_v02 * Sz;
        tmp_Sz2 += tmp_v02 * Sz * Sz;
    }


    tmp_D        = SumMPI_d(tmp_D);
    tmp_D2       = SumMPI_d(tmp_D2);
    tmp_N        = SumMPI_d(tmp_N);
    tmp_N2       = SumMPI_d(tmp_N2);
    tmp_Sz       = SumMPI_d(tmp_Sz);
    tmp_Sz2      = SumMPI_d(tmp_Sz2);

    X->Phys.doublon   = tmp_D;
    X->Phys.doublon2  = tmp_D2;
    X->Phys.num       = tmp_N;
    X->Phys.num2      = tmp_N2;
    X->Phys.Sz        = tmp_Sz*0.5;
    X->Phys.Sz2       = tmp_Sz2*0.25;
    X->Phys.num_up    = 0.5*(tmp_N+tmp_Sz);
    X->Phys.num_down  = 0.5*(tmp_N-tmp_Sz);
    return 0;
}

Here is the call graph for this function:

Here is the caller graph for this function:

expec_energy_flct_HubbardGC()

int expec_energy_flct_HubbardGC

(

struct BindStruct *

X

)

Calculate expected values of energies and physical quantities for Hubbard GC model.

Parameters

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

Return values

0	normally finished.
-1	abnormally finished.

Definition at line 185 of file expec_energy_flct.c.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, CheckList::idim_max, myrank, DefineList::Nsite, DefineList::NsiteMPI, PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, BindStruct::Phys, pop(), SumMPI_d(), PhysList::Sz, PhysList::Sz2, DefineList::Tpow, and v0.

Referenced by expec_energy_flct().

                                                      {
    long unsigned int j;
    long unsigned int isite1;
    long unsigned int is1_up_a, is1_up_b;
    long unsigned int is1_down_a, is1_down_b;
    int bit_up, bit_down, bit_D;
    long unsigned int ibit_up, ibit_down, ibit_D;
    double D, tmp_D, tmp_D2;
    double N, tmp_N, tmp_N2;
    double Sz, tmp_Sz, tmp_Sz2;
    double tmp_v02;
    long unsigned int i_max;
    unsigned int l_ibit1, u_ibit1, i_32;
    i_max=X->Check.idim_max;

    i_32 = 0xFFFFFFFF; //2^32 - 1
    // tentative doublon
    tmp_D        = 0.0;
    tmp_D2       = 0.0;
    tmp_N        = 0.0;
    tmp_N2       = 0.0;
    tmp_Sz       = 0.0;
    tmp_Sz2      = 0.0;

//[s] for bit count
    is1_up_a = 0;
    is1_up_b = 0;
    is1_down_a = 0;
    is1_down_b = 0;
    for (isite1 = 1; isite1 <= X->Def.NsiteMPI; isite1++) {
        if (isite1 > X->Def.Nsite) {
            is1_up_a += X->Def.Tpow[2 * isite1 - 2];
            is1_down_a += X->Def.Tpow[2 * isite1 - 1];
        } else {
            is1_up_b += X->Def.Tpow[2 * isite1 - 2];
            is1_down_b += X->Def.Tpow[2 * isite1 - 1];
        }
    }
//[e]
#pragma omp parallel for reduction(+:tmp_D,tmp_D2,tmp_N,tmp_N2,tmp_Sz,tmp_Sz2) default(none) shared(v0,list_1) \
  firstprivate(i_max, X,myrank,is1_up_a,is1_down_a,is1_up_b,is1_down_b,i_32) \
  private(j, tmp_v02,D,N,Sz,isite1,bit_up,bit_down,bit_D,u_ibit1,l_ibit1,ibit_up,ibit_down,ibit_D)
    for (j = 1; j <= i_max; j++) {
        tmp_v02 = conj(v0[j]) * v0[j];
        bit_up = 0;
        bit_down = 0;
        bit_D = 0;
// isite1 > X->Def.Nsite
        ibit_up = (unsigned long int) myrank & is1_up_a;
        u_ibit1 = ibit_up >> 32;
        l_ibit1 = ibit_up & i_32;
        bit_up += pop(u_ibit1);
        bit_up += pop(l_ibit1);

        ibit_down = (unsigned long int) myrank & is1_down_a;
        u_ibit1 = ibit_down >> 32;
        l_ibit1 = ibit_down & i_32;
        bit_down += pop(u_ibit1);
        bit_down += pop(l_ibit1);

        ibit_D = (ibit_up) & (ibit_down >> 1);
        u_ibit1 = ibit_D >> 32;
        l_ibit1 = ibit_D & i_32;
        bit_D += pop(u_ibit1);
        bit_D += pop(l_ibit1);

// isite1 <= X->Def.Nsite
        ibit_up = (unsigned long int) (j - 1) & is1_up_b;
        u_ibit1 = ibit_up >> 32;
        l_ibit1 = ibit_up & i_32;
        bit_up += pop(u_ibit1);
        bit_up += pop(l_ibit1);

        ibit_down = (unsigned long int) (j - 1) & is1_down_b;
        u_ibit1 = ibit_down >> 32;
        l_ibit1 = ibit_down & i_32;
        bit_down += pop(u_ibit1);
        bit_down += pop(l_ibit1);

        ibit_D = (ibit_up) & (ibit_down >> 1);
        u_ibit1 = ibit_D >> 32;
        l_ibit1 = ibit_D & i_32;
        bit_D += pop(u_ibit1);
        bit_D += pop(l_ibit1);

        D = bit_D;
        N = bit_up + bit_down;
        Sz = bit_up - bit_down;

        tmp_D += tmp_v02 * D;
        tmp_D2 += tmp_v02 * D * D;
        tmp_N += tmp_v02 * N;
        tmp_N2 += tmp_v02 * N * N;
        tmp_Sz += tmp_v02 * Sz;
        tmp_Sz2 += tmp_v02 * Sz * Sz;
    }
    tmp_D        = SumMPI_d(tmp_D);
    tmp_D2       = SumMPI_d(tmp_D2);
    tmp_N        = SumMPI_d(tmp_N);
    tmp_N2       = SumMPI_d(tmp_N2);
    tmp_Sz       = SumMPI_d(tmp_Sz);
    tmp_Sz2      = SumMPI_d(tmp_Sz2);

    X->Phys.doublon   = tmp_D;
    X->Phys.doublon2  = tmp_D2;
    X->Phys.num       = tmp_N;
    X->Phys.num2      = tmp_N2;
    X->Phys.Sz        = tmp_Sz*0.5;
    X->Phys.Sz2       = tmp_Sz2*0.25;
    X->Phys.num_up    = 0.5*(tmp_N+tmp_Sz);
    X->Phys.num_down  = 0.5*(tmp_N-tmp_Sz);

    return 0;
}

Here is the call graph for this function:

Here is the caller graph for this function: