SingleExHubbard.c File Reference

Functions to compute singly excited state in Hubbard model. More...

#include "bitcalc.h"
#include "wrapperMPI.h"
#include "mfmemory.h"
#include "mltplyHubbardCore.h"
#include "mltplyMPIHubbardCore.h"
#include "mpi.h"

Go to the source code of this file.

Functions
int	GetSingleExcitedStateHubbard (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Calculation of Single excited state for Hubbard canonical system. More...
int	GetSingleExcitedStateHubbardGC (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Calculation of Single excited state for Hubbard Grand canonical system. More...

Detailed Description

Functions to compute singly excited state in Hubbard model.

Definition in file SingleExHubbard.c.

Function Documentation

GetSingleExcitedStateHubbard()

int GetSingleExcitedStateHubbard	(	struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Calculation of Single excited state for Hubbard canonical system.

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

	X	define list to get and put information of calculation
[out]	tmp_v0	Result v0 = H v1
[in]	tmp_v1	v0 = H v1

Definition at line 34 of file SingleExHubbard.c.

References list_1_org, list_1buf_org, list_2_1, list_2_2, MaxMPI_li(), TRUE, X, X_Ajt(), X_Ajt_MPI(), X_Cis(), and X_Cis_MPI().

Referenced by GetSingleExcitedState().

  {
  long int idim_max, idim_maxMPI;
  long unsigned int i, j;
  long unsigned int org_isite, ispin, itype;
  long unsigned int is1_spin;
  int isgn = 1;
  double complex tmpphi;
  long unsigned int tmp_off = 0;
  //tmp_v0
  if (X->Def.NSingleExcitationOperator == 0) {
    return TRUE;
  }
  double complex *tmp_v1bufOrg;
  //set size
#ifdef MPI
  idim_maxMPI = MaxMPI_li(X->Check.idim_maxOrg);
  c_malloc1(tmp_v1bufOrg, idim_maxMPI + 1);
#endif // MPI

  idim_max = X->Check.idim_maxOrg;
  for (i = 0; i < X->Def.NSingleExcitationOperator; i++) {
    org_isite = X->Def.SingleExcitationOperator[i][0];
    ispin = X->Def.SingleExcitationOperator[i][1];
    itype = X->Def.SingleExcitationOperator[i][2];
    tmpphi = X->Def.ParaSingleExcitationOperator[i];
    is1_spin = X->Def.Tpow[2 * org_isite + ispin];
    if (itype == 1) {
      if (org_isite >= X->Def.Nsite) {
        X_Cis_MPI(org_isite, ispin, tmpphi, tmp_v0, tmp_v1, tmp_v1bufOrg, idim_max, \
          X->Def.Tpow, list_1_org, list_1buf_org, list_2_1, list_2_2, \
          X->Large.irght, X->Large.ilft, X->Large.ihfbit);
      }
      else {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1, X, list_1_org) \
  firstprivate(idim_max, tmpphi, org_isite, ispin, list_2_1, list_2_2, is1_spin) private(j,  isgn,tmp_off)
        for (j = 1; j <= idim_max; j++) {//idim_max -> original dimension
          isgn = X_Cis(j, is1_spin, &tmp_off, list_1_org, list_2_1, list_2_2, X->Large.irght, X->Large.ilft, X->Large.ihfbit);
          tmp_v0[tmp_off] += tmp_v1[j] * isgn*tmpphi;
        }
      }
    }
    else if (itype == 0) {
      if (org_isite >= X->Def.Nsite) {
        X_Ajt_MPI(org_isite, ispin, tmpphi, tmp_v0, tmp_v1, tmp_v1bufOrg, \
          idim_max, X->Def.Tpow, list_1_org, list_1buf_org, \
          list_2_1, list_2_2, X->Large.irght, X->Large.ilft, X->Large.ihfbit);
      }
      else {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1, X, list_1_org, list_1) \
  firstprivate(idim_max, tmpphi, org_isite, ispin, list_2_1, list_2_2, is1_spin, myrank) private(j, isgn, tmp_off)
        for (j = 1; j <= idim_max; j++) {//idim_max -> original dimension
          isgn = X_Ajt(j, is1_spin, &tmp_off, list_1_org, list_2_1, list_2_2, X->Large.irght, X->Large.ilft, X->Large.ihfbit);
          tmp_v0[tmp_off] += tmp_v1[j] * isgn*tmpphi;
        }
      }
    }
  }
  return TRUE;
}/*int GetSingleExcitedStateHubbard*/

GetSingleExcitedStateHubbardGC()

int GetSingleExcitedStateHubbardGC	(	struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Calculation of Single excited state for Hubbard Grand canonical system.

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

	X	define list to get and put information of calculation
[out]	tmp_v0	Result v0 = H v1
[in]	tmp_v1	v0 = H v1

Definition at line 104 of file SingleExHubbard.c.

References GC_Ajt(), GC_Cis(), MaxMPI_li(), TRUE, X, X_GC_Ajt_MPI(), and X_GC_Cis_MPI().

Referenced by GetSingleExcitedState().

 {
  long int idim_max, idim_maxMPI;
  long unsigned int i, j;
  long unsigned int org_isite, ispin, itype;
  long unsigned int is1_spin;
  double complex tmpphi;
  long unsigned int tmp_off = 0;
  //idim_max = X->Check.idim_max;
  idim_max = X->Check.idim_maxOrg;
  //tmp_v0
  if (X->Def.NSingleExcitationOperator == 0) {
    return TRUE;
  }
  double complex *tmp_v1bufOrg;
  //set size
#ifdef MPI
  idim_maxMPI = MaxMPI_li(X->Check.idim_maxOrg);
  c_malloc1(tmp_v1bufOrg, idim_maxMPI + 1);
#endif // MPI

  // SingleEx
  for (i = 0; i < X->Def.NSingleExcitationOperator; i++) {
    org_isite = X->Def.SingleExcitationOperator[i][0];
    ispin = X->Def.SingleExcitationOperator[i][1];
    itype = X->Def.SingleExcitationOperator[i][2];
    tmpphi = X->Def.ParaSingleExcitationOperator[i];
    if (itype == 1) {
      if (org_isite >= X->Def.Nsite) {
        X_GC_Cis_MPI(org_isite, ispin, tmpphi, tmp_v0, tmp_v1, idim_max, tmp_v1bufOrg, X->Def.Tpow);
      }
      else {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1, X) \
  firstprivate(idim_max, tmpphi, org_isite, ispin) private(j, is1_spin, tmp_off)
        for (j = 1; j <= idim_max; j++) {
          is1_spin = X->Def.Tpow[2 * org_isite + ispin];
          GC_Cis(j, tmp_v0, tmp_v1, is1_spin, tmpphi, &tmp_off);
        }/*for (j = 1; j <= idim_max; j++)*/
      }
    }
    else if (itype == 0) {
      if (org_isite >= X->Def.Nsite) {
        X_GC_Ajt_MPI(org_isite, ispin, tmpphi, tmp_v0, tmp_v1, idim_max, tmp_v1bufOrg, X->Def.Tpow);
      }
      else {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1, X) \
  firstprivate(idim_max, tmpphi, org_isite, ispin) private(j, is1_spin, tmp_off)
        for (j = 1; j <= idim_max; j++) {
          is1_spin = X->Def.Tpow[2 * org_isite + ispin];
          GC_Ajt(j, tmp_v0, tmp_v1, is1_spin, tmpphi, &tmp_off);
        }/*for (j = 1; j <= idim_max; j++)*/
      }
    }
  }
return TRUE;
}/*int GetSingleExcitedStateHubbardGC*/