mltplyHubbard.c File Reference

Function for Hubbard Hamitonian. More...

#include <bitcalc.h>
#include "mltplyCommon.h"
#include "mltplyHubbard.h"
#include "mltplyMPIHubbard.h"
#include "CalcTime.h"
#include "mltplyHubbardCore.h"
#include "mltplyMPIHubbardCore.h"

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Functions
int	mltplyHubbard (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	perform Hamiltonian vector product for (extended) Hubbard type model. \({\bf v}_0 = {\hat H}{\bf v}_1\) More...
int	mltplyHubbardGC (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	perform Hamiltonian vector product for (extended) Hubbard type model (Grandcanonical). \({\bf v}_0 = {\hat H}{\bf v}_1\) More...
double complex	child_pairhopp (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute pairhopp term (canonical) More...
double complex	child_exchange (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute Exchange term (canonical) in single process. More...
double complex	child_general_hopp (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X, double complex trans)
	Compute hopping (canonical) More...
double complex	GC_child_general_hopp (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X, double complex trans)
	Commpute hopping term (grandcanonical) More...
double complex	child_general_int (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute inter-all term (canonical) More...
double complex	GC_child_general_int (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute inter-all term (canonical) More...
double complex	GC_child_pairhopp (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute pairhopp term (grandcanonical) More...
double complex	GC_child_exchange (double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X)
	Compute Exchange term (grandcanonical) in single process. More...

Detailed Description

Function for Hubbard Hamitonian.

• mltplyHubbard(): Main routine of hubbard hamiltonian (canonical).
• mltplyHubbardGC(): Main routine of hubbard hamiltonian (grandcanonical).

	Canonical	Canonical	Grand Canonical	Grand Canonical
	Intra Process	Inter Process	Intra Process	Inter Process
\(c_{i s}^\dagger\)	::Cis, X_Cis	::Cis_MPI, X_Cis_MPI	GC_Cis, ::X_GC_Cis	::GC_Cis_MPI, X_GC_Cis_MPI
\(c_{j t}\)	::Ajt, X_Ajt	::Ajt_MPI, X_Ajt_MPI	GC_Ajt, ::X_GC_Ajt	::GC_Ajt_MPI, X_GC_Ajt_MPI
\(c_{i s}^\dagger c_{i s}\)	::CisAis, X_CisAis	::child_CisAis_Hubbard_MPI, X_child_CisAis_Hubbard_MPI	GC_CisAis, X_CisAis	::GC_child_CisAis_Hubbard_MPI, X_GC_child_CisAis_Hubbard_MPI
\(c_{i s}^\dagger c_{j t}\)	CisAjt, X_CisAjt	::child_CisAjt_MPIsingle, ::child_CisAjt_MPIdouble, X_child_CisAjt_MPIsingle, X_child_CisAjt_MPIdouble	GC_CisAjt, X_GC_CisAjt	::GC_child_CisAjt_Hubbard_MPI, X_GC_child_CisAjt_Hubbard_MPI
\(c_{i s}^\dagger c_{i s} c_{i s}^\dagger c_{i s}\)	child_CisAisCisAis_element	::X_child_CisAisCisAis_Hubbard_MPI	GC_child_CisAisCisAis_element	::X_GC_child_CisAisCisAis_Hubbard_MPI
\(c_{i s}^\dagger c_{i s} c_{j t}^\dagger c_{j t}\)	::child_CisAisCjtAjt_element	X_child_CisAisCjtAjt_Hubbard_MPI	::GC_child_CisAisCjtAjt_element	X_GC_child_CisAisCjtAjt_Hubbard_MPI
\(c_{i s}^\dagger c_{i s} c_{j t}^\dagger c_{k u}\)	child_CisAisCjtAku_element	X_child_CisAisCjtAku_Hubbard_MPI	GC_child_CisAisCjtAku_element	X_GC_child_CisAisCjtAku_Hubbard_MPI
\(c_{i s}^\dagger c_{j t} c_{k u}^\dagger c_{k u}\)	child_CisAjtCkuAku_element	X_child_CisAjtCkuAku_Hubbard_MPI	GC_child_CisAjtCkuAku_element	X_GC_child_CisAjtCkuAku_Hubbard_MPI
\(c_{i s}^\dagger c_{j t} c_{k u}^\dagger c_{l v}\)	child_CisAjtCkuAlv_element	X_child_CisAjtCkuAlv_Hubbard_MPI	GC_child_CisAjtCkuAlv_element	X_GC_child_CisAjtCkuAlv_Hubbard_MPI

Other

	Get info	Canonical	Grandcanonical
Exchange	child_exchange_GetInfo	child_exchange, child_exchange_element	GC_child_exchange, GC_child_exchange_element
Pair hop	child_pairhopp_GetInfo	child_pairhopp, child_pairhopp_element	GC_child_pairhopp, GC_child_pairhopp_element
General int.	child_general_int_GetInfo	child_general_int	GC_child_general_int
General hop	child_general_hopp_GetInfo	child_general_hopp, child_general_hopp_MPIsingle, child_general_hopp_MPIdouble	GC_child_general_hopp, GC_child_general_hopp_MPIsingle, GC_child_general_hopp_MPIdouble

Definition in file mltplyHubbard.c.

Function Documentation

child_exchange()

double complex child_exchange	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute Exchange term (canonical) in single process.

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X

Definition at line 561 of file mltplyHubbard.c.

References child_exchange_element(), LargeList::i_max, and BindStruct::Large.

Referenced by mltplyHubbard().

  {
  long int j;
  long unsigned int i_max = X->Large.i_max;
  long unsigned int off = 0;
  double complex dam_pr = 0;

#pragma omp parallel for default(none) reduction(+:dam_pr) firstprivate(i_max, X,off) private(j) shared(tmp_v0, tmp_v1)
  for (j = 1; j <= i_max; j++) 
    dam_pr += child_exchange_element(j, tmp_v0, tmp_v1, X, &off);
  return dam_pr;
}/*double complex child_exchange*/

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child_general_hopp()

double complex child_general_hopp	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X,
		double complex	trans
	)

Compute hopping (canonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X
[in]	trans	Hopping integral

Definition at line 582 of file mltplyHubbard.c.

References LargeList::A_spin, CisAjt(), LargeList::i_max, LargeList::is1_spin, LargeList::is2_spin, LargeList::isA_spin, and BindStruct::Large.

Referenced by expec_cisajs_Hubbard(), GetPairExcitedStateHubbard(), and mltplyHubbard().

  {
  long unsigned int j, isite1, isite2, Asum, Adiff;
  long unsigned int i_max = X->Large.i_max;
  double complex dam_pr = 0;

  isite1 = X->Large.is1_spin;
  isite2 = X->Large.is2_spin;
  Asum = X->Large.isA_spin;
  Adiff = X->Large.A_spin;
  //fprintf(stdout, "DEBUG, isite1=%ld, isite2=%ld, Asum=%ld, Adiff=%ld \n", isite1, isite2, Asum, Adiff);
#pragma omp parallel for default(none) reduction(+:dam_pr) \
firstprivate(i_max,X,Asum,Adiff,isite1,isite2,trans) private(j) shared(tmp_v0, tmp_v1)
  for (j = 1; j <= i_max; j++)
    dam_pr += CisAjt(j, tmp_v0, tmp_v1, X, isite1, isite2, Asum, Adiff, trans) * trans;
  return dam_pr;
}/*double complex child_general_hopp*/

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child_general_int()

double complex child_general_int	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute inter-all term (canonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X

Definition at line 645 of file mltplyHubbard.c.

References LargeList::A_spin, LargeList::B_spin, child_CisAisCisAis_element(), child_CisAisCjtAku_element(), child_CisAjtCkuAku_element(), child_CisAjtCkuAlv_element(), LargeList::i_max, LargeList::is1_spin, LargeList::is2_spin, LargeList::is3_spin, LargeList::is4_spin, LargeList::isA_spin, LargeList::isB_spin, BindStruct::Large, and LargeList::tmp_V.

Referenced by mltplyHubbard().

  {
  double complex dam_pr, tmp_V;
  long unsigned int j, i_max;
  long unsigned int isite1, isite2, isite3, isite4;
  long unsigned int Asum, Bsum, Adiff, Bdiff;
  long unsigned int tmp_off = 0;
  long unsigned int tmp_off_2 = 0;

  //note: this site is labeled for not only site but site with spin.
  i_max = X->Large.i_max;
  isite1 = X->Large.is1_spin;
  isite2 = X->Large.is2_spin;
  Asum = X->Large.isA_spin;
  Adiff = X->Large.A_spin;

  isite3 = X->Large.is3_spin;
  isite4 = X->Large.is4_spin;
  Bsum = X->Large.isB_spin;
  Bdiff = X->Large.B_spin;

  tmp_V = X->Large.tmp_V;
  dam_pr = 0.0;

#pragma omp parallel default(none) reduction(+:dam_pr) \
private(j, tmp_off, tmp_off_2) \
firstprivate(i_max, X, isite1, isite2, isite3, isite4, Asum, Bsum, Adiff, Bdiff, tmp_V) \
shared(tmp_v0, tmp_v1)
  {
    if (isite1 == isite2 && isite3 == isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += child_CisAisCisAis_element(j, isite1, isite3, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 == isite2 && isite3 == isite4)*/
    else if (isite1 == isite2 && isite3 != isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += child_CisAisCjtAku_element(
          j, isite1, isite3, isite4, Bsum, Bdiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 == isite2 && isite3 != isite4)*/
    else if (isite1 != isite2 && isite3 == isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += child_CisAjtCkuAku_element(j, isite1, isite2, isite3, Asum, Adiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 != isite2 && isite3 == isite4)*/
    else if (isite1 != isite2 && isite3 != isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += child_CisAjtCkuAlv_element(
          j, isite1, isite2, isite3, isite4, Asum, Adiff, Bsum, Bdiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off_2);
    }/*if (isite1 != isite2 && isite3 != isite4)*/
  }/*End of parallel region*/
  return dam_pr;
}/*double complex child_general_int*/

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child_pairhopp()

double complex child_pairhopp	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute pairhopp term (canonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X

Definition at line 540 of file mltplyHubbard.c.

References child_pairhopp_element(), LargeList::i_max, and BindStruct::Large.

Referenced by mltplyHubbard().

  {
  long int j;
  long unsigned int i_max = X->Large.i_max;
  long unsigned int off = 0;
  double complex dam_pr = 0.0;

#pragma omp parallel for default(none) reduction(+:dam_pr) firstprivate(i_max, X,off) private(j) shared(tmp_v0, tmp_v1)
  for (j = 1; j <= i_max; j++) 
    dam_pr += child_pairhopp_element(j, tmp_v0, tmp_v1, X, &off);
  return dam_pr;
}/*double complex child_pairhopp*/

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GC_child_exchange()

double complex GC_child_exchange	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute Exchange term (grandcanonical) in single process.

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition at line 791 of file mltplyHubbard.c.

References GC_child_exchange_element(), LargeList::i_max, and BindStruct::Large.

Referenced by mltplyHubbardGC().

  {
  long int j;
  long unsigned int i_max = X->Large.i_max;
  long unsigned int off = 0;
  double complex dam_pr = 0.0;

#pragma omp parallel for default(none) \
reduction(+:dam_pr) firstprivate(i_max, X,off) private(j) shared(tmp_v0, tmp_v1)
  for (j = 1; j <= i_max; j++) 
    dam_pr += GC_child_exchange_element(j, tmp_v0, tmp_v1, X, &off);
  return dam_pr;
}/*double complex GC_child_exchange*/

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GC_child_general_hopp()

double complex GC_child_general_hopp	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X,
		double complex	trans
	)

Commpute hopping term (grandcanonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X
[in]	trans	Hopping integral

Definition at line 609 of file mltplyHubbard.c.

References LargeList::A_spin, GC_CisAis(), GC_CisAjt(), LargeList::i_max, LargeList::is1_spin, LargeList::is2_spin, LargeList::isA_spin, and BindStruct::Large.

Referenced by expec_cisajs_HubbardGC(), GetPairExcitedStateHubbardGC(), and mltplyHubbardGC().

  {
  long unsigned int j, isite1, isite2, Asum, Adiff;
  long unsigned int tmp_off;
  long unsigned int i_max = X->Large.i_max;
  double complex dam_pr = 0;

  isite1 = X->Large.is1_spin;
  isite2 = X->Large.is2_spin;
  Asum = X->Large.isA_spin;
  Adiff = X->Large.A_spin;

  if (isite1 == isite2) {
#pragma omp parallel for default(none) reduction(+:dam_pr) \
private(j) firstprivate(i_max,X,isite1, trans) shared(tmp_v0, tmp_v1)
    for (j = 1; j <= i_max; j++)
      dam_pr += GC_CisAis(j, tmp_v0, tmp_v1, X, isite1, trans) * trans;
  }/*if (isite1 == isite2)*/
  else {
#pragma omp parallel for default(none) reduction(+:dam_pr) \
firstprivate(i_max,X,Asum,Adiff,isite1,isite2,trans) private(j,tmp_off) shared(tmp_v0, tmp_v1)
    for (j = 1; j <= i_max; j++) 
      dam_pr += GC_CisAjt(j, tmp_v0, tmp_v1, X, isite1, isite2, Asum, Adiff, trans, &tmp_off) * trans;
  }
  return dam_pr;
}/*double complex GC_child_general_hopp*/

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GC_child_general_int()

double complex GC_child_general_int	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute inter-all term (canonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X

Definition at line 708 of file mltplyHubbard.c.

References LargeList::A_spin, LargeList::B_spin, GC_child_CisAisCisAis_element(), GC_child_CisAisCjtAku_element(), GC_child_CisAjtCkuAku_element(), GC_child_CisAjtCkuAlv_element(), LargeList::i_max, LargeList::is1_spin, LargeList::is2_spin, LargeList::is3_spin, LargeList::is4_spin, LargeList::isA_spin, LargeList::isB_spin, BindStruct::Large, and LargeList::tmp_V.

Referenced by mltplyHubbardGC().

  {
  double complex dam_pr, tmp_V;
  long unsigned int j, i_max;
  long unsigned int isite1, isite2, isite3, isite4;
  long unsigned int Asum, Bsum, Adiff, Bdiff;
  long unsigned int tmp_off = 0;
  long unsigned int tmp_off_2 = 0;

  i_max = X->Large.i_max;
  isite1 = X->Large.is1_spin;
  isite2 = X->Large.is2_spin;
  Asum = X->Large.isA_spin;
  Adiff = X->Large.A_spin;

  isite3 = X->Large.is3_spin;
  isite4 = X->Large.is4_spin;
  Bsum = X->Large.isB_spin;
  Bdiff = X->Large.B_spin;

  tmp_V = X->Large.tmp_V;
  dam_pr = 0.0;

#pragma omp parallel default(none) reduction(+:dam_pr) private(j) \
firstprivate(i_max, X, isite1, isite2, isite4, isite3, Asum, Bsum, Adiff, Bdiff, tmp_off, tmp_off_2, tmp_V) \
shared(tmp_v0, tmp_v1)
  {
    if (isite1 == isite2 && isite3 == isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += GC_child_CisAisCisAis_element(j, isite1, isite3, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 == isite2 && isite3 == isite4)*/
    else if (isite1 == isite2 && isite3 != isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += GC_child_CisAisCjtAku_element(j, isite1, isite3, isite4, Bsum, Bdiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 == isite2 && isite3 != isite4)*/
    else if (isite1 != isite2 && isite3 == isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += GC_child_CisAjtCkuAku_element(
          j, isite1, isite2, isite3, Asum, Adiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off);
    }/*if (isite1 != isite2 && isite3 == isite4)*/
    else if (isite1 != isite2 && isite3 != isite4) {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += GC_child_CisAjtCkuAlv_element(
          j, isite1, isite2, isite3, isite4, Asum, Adiff, Bsum, Bdiff, tmp_V, tmp_v0, tmp_v1, X, &tmp_off_2);
    }/*if (isite1 != isite2 && isite3 != isite4)*/
  }/*End of parallel region*/
  return dam_pr;
}/*double complex GC_child_general_int*/

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GC_child_pairhopp()

double complex GC_child_pairhopp	(	double complex *	tmp_v0,
		double complex *	tmp_v1,
		struct BindStruct *	X
	)

Compute pairhopp term (grandcanonical)

Returns

Fragment of \(\langle v_1|{\hat H}|v_1\rangle\)

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Parameters

[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector
[in,out]	X

Definition at line 769 of file mltplyHubbard.c.

References GC_child_pairhopp_element(), LargeList::i_max, and BindStruct::Large.

Referenced by mltplyHubbardGC().

  {
  long int j;
  long unsigned int i_max = X->Large.i_max;
  long unsigned int off = 0;
  double complex dam_pr = 0.0;

#pragma omp parallel for default(none) reduction(+:dam_pr) firstprivate(i_max,X,off) private(j) shared(tmp_v0, tmp_v1)
  for (j = 1; j <= i_max; j++) 
    dam_pr += GC_child_pairhopp_element(j, tmp_v0, tmp_v1, X, &off);

  return dam_pr;
}/*double complex GC_child_pairhopp*/

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mltplyHubbard()

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

perform Hamiltonian vector product for (extended) Hubbard type model. \({\bf v}_0 = {\hat H}{\bf v}_1\)

Returns

errorcode. 0 for normal, other error

Author

Kazuyoshi Yoshimi (The University of Tokyo)

Transfer

InterAll

Pair hopping

Exchange

Parameters

[in,out]	X
[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector

Definition at line 150 of file mltplyHubbard.c.

References CheckPE(), child_exchange(), child_exchange_GetInfo(), child_general_hopp(), child_general_hopp_GetInfo(), child_general_hopp_MPIdouble(), child_general_hopp_MPIsingle(), child_general_int(), child_general_int_GetInfo(), child_pairhopp(), child_pairhopp_GetInfo(), BindStruct::Def, DefineList::EDGeneralTransfer, DefineList::EDNTransfer, DefineList::EDParaGeneralTransfer, DefineList::ExchangeCoupling, DefineList::InterAll_OffDiagonal, BindStruct::Large, DefineList::NExchangeCoupling, DefineList::NInterAll_OffDiagonal, DefineList::NPairHopping, DefineList::Nsite, DefineList::OrgTpow, DefineList::PairHopping, DefineList::ParaExchangeCoupling, DefineList::ParaInterAll_OffDiagonal, DefineList::ParaPairHopping, LargeList::prdct, StartTimer(), StopTimer(), LargeList::tmp_trans, TRUE, X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAisCjtAku_Hubbard_MPI(), X_child_CisAjtCkuAku_Hubbard_MPI(), and X_child_CisAjtCkuAlv_Hubbard_MPI().

Referenced by mltply().

 {
  long unsigned int i;
  long unsigned int isite1, isite2, sigma1, sigma2;
  long unsigned int isite3, isite4, sigma3, sigma4;
  long unsigned int ibitsite1, ibitsite2, ibitsite3, ibitsite4;

  double complex dam_pr;
  double complex tmp_trans;
  /*[s] For InterAll */
  double complex tmp_V;
  /*[e] For InterAll */

  int ihermite=0;
  int idx=0;

  StartTimer(300);
  StartTimer(310);
  for (i = 0; i < X->Def.EDNTransfer; i+=2) {
    if (X->Def.EDGeneralTransfer[i][0] + 1 > X->Def.Nsite &&
        X->Def.EDGeneralTransfer[i][2] + 1 > X->Def.Nsite) {
      StartTimer(311);
      child_general_hopp_MPIdouble(i, X, tmp_v0, tmp_v1);
      StopTimer(311);
    }
    else if (X->Def.EDGeneralTransfer[i][2] + 1 > X->Def.Nsite) {
      StartTimer(312);
      child_general_hopp_MPIsingle(i, X, tmp_v0, tmp_v1);
      StopTimer(312);
    }
    else if (X->Def.EDGeneralTransfer[i][0] + 1 > X->Def.Nsite) {
      StartTimer(312);
      child_general_hopp_MPIsingle(i + 1, X, tmp_v0, tmp_v1);
      StopTimer(312);
    }
    else {
      StartTimer(313);
      for (ihermite = 0; ihermite<2; ihermite++) {
        idx = i + ihermite;
        isite1 = X->Def.EDGeneralTransfer[idx][0] + 1;
        isite2 = X->Def.EDGeneralTransfer[idx][2] + 1;
        sigma1 = X->Def.EDGeneralTransfer[idx][1];
        sigma2 = X->Def.EDGeneralTransfer[idx][3];
        if (child_general_hopp_GetInfo(X, isite1, isite2, sigma1, sigma2) != 0) {
          return -1;
        }
        tmp_trans = -X->Def.EDParaGeneralTransfer[idx];
        X->Large.tmp_trans = tmp_trans;
        dam_pr = child_general_hopp(tmp_v0, tmp_v1, X, tmp_trans);
        X->Large.prdct += dam_pr;
      }
      StopTimer(313);
    }
  }/*for (i = 0; i < X->Def.EDNTransfer; i+=2)*/
  StopTimer(310);
  StartTimer(320);
  for (i = 0; i < X->Def.NInterAll_OffDiagonal; i+=2) {
        
    isite1 = X->Def.InterAll_OffDiagonal[i][0] + 1;
    isite2 = X->Def.InterAll_OffDiagonal[i][2] + 1;
    isite3 = X->Def.InterAll_OffDiagonal[i][4] + 1;
    isite4 = X->Def.InterAll_OffDiagonal[i][6] + 1;
    sigma1 = X->Def.InterAll_OffDiagonal[i][1];
    sigma2 = X->Def.InterAll_OffDiagonal[i][3];
    sigma3 = X->Def.InterAll_OffDiagonal[i][5];
    sigma4 = X->Def.InterAll_OffDiagonal[i][7];
    tmp_V = X->Def.ParaInterAll_OffDiagonal[i];

    dam_pr = 0.0;
    if (CheckPE(isite1 - 1, X) == TRUE || CheckPE(isite2 - 1, X) == TRUE ||
        CheckPE(isite3 - 1, X) == TRUE || CheckPE(isite4 - 1, X) == TRUE) {
      StartTimer(321);
      ibitsite1 = X->Def.OrgTpow[2*isite1-2+sigma1] ;
      ibitsite2 = X->Def.OrgTpow[2 * isite2 - 2 + sigma2];
      ibitsite3 = X->Def.OrgTpow[2 * isite3 - 2 + sigma3];
      ibitsite4 = X->Def.OrgTpow[2 * isite4 - 2 + sigma4];
      if (ibitsite1 == ibitsite2 && ibitsite3 == ibitsite4) {
        dam_pr += X_child_CisAisCjtAjt_Hubbard_MPI(isite1 - 1, sigma1,
          isite3 - 1, sigma3,
          tmp_V, X, tmp_v0, tmp_v1);
      }
      else if (ibitsite1 == ibitsite2 && ibitsite3 != ibitsite4) {
        dam_pr += X_child_CisAisCjtAku_Hubbard_MPI(isite1 - 1, sigma1,
          isite3 - 1, sigma3, isite4 - 1, sigma4,
          tmp_V, X, tmp_v0, tmp_v1);
      }
      else if (ibitsite1 != ibitsite2 && ibitsite3 == ibitsite4) {
        dam_pr += X_child_CisAjtCkuAku_Hubbard_MPI(isite1 - 1, sigma1, isite2 - 1, sigma2,
          isite3 - 1, sigma3, tmp_V, X, tmp_v0, tmp_v1);
      }
      else if (ibitsite1 != ibitsite2 && ibitsite3 != ibitsite4) {
        dam_pr += X_child_CisAjtCkuAlv_Hubbard_MPI(isite1 - 1, sigma1, isite2 - 1, sigma2,
          isite3 - 1, sigma3, isite4 - 1, sigma4, tmp_V, X, tmp_v0, tmp_v1);
      }
      StopTimer(321);
    }
    else {
      StartTimer(322);
      for (ihermite = 0; ihermite < 2; ihermite++) {
        idx = i + ihermite;
        isite1 = X->Def.InterAll_OffDiagonal[idx][0] + 1;
        isite2 = X->Def.InterAll_OffDiagonal[idx][2] + 1;
        isite3 = X->Def.InterAll_OffDiagonal[idx][4] + 1;
        isite4 = X->Def.InterAll_OffDiagonal[idx][6] + 1;
        sigma1 = X->Def.InterAll_OffDiagonal[idx][1];
        sigma2 = X->Def.InterAll_OffDiagonal[idx][3];
        sigma3 = X->Def.InterAll_OffDiagonal[idx][5];
        sigma4 = X->Def.InterAll_OffDiagonal[idx][7];
        tmp_V = X->Def.ParaInterAll_OffDiagonal[idx];

        child_general_int_GetInfo(i, X, isite1, isite2, isite3, isite4, 
          sigma1, sigma2, sigma3, sigma4, tmp_V);

        dam_pr += child_general_int(tmp_v0, tmp_v1, X);
      }/*for (ihermite = 0; ihermite < 2; ihermite++)*/
      StopTimer(322);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NInterAll_OffDiagonal; i+=2)*/
  StopTimer(320);
  StartTimer(330);
  for (i = 0; i < X->Def.NPairHopping; i +=2) {
    sigma1=0;
    sigma2=1;
    dam_pr = 0.0;
        
    if ( X->Def.PairHopping[i][0] + 1 > X->Def.Nsite 
      || X->Def.PairHopping[i][1] + 1 > X->Def.Nsite)
    {
      StartTimer(331);
      dam_pr = X_child_CisAjtCkuAlv_Hubbard_MPI(
        X->Def.PairHopping[i][0], sigma1, X->Def.PairHopping[i][1], sigma1, 
        X->Def.PairHopping[i][0], sigma2, X->Def.PairHopping[i][1], sigma2, 
        X->Def.ParaPairHopping[i], X, tmp_v0, tmp_v1);
        StopTimer(331);
    }
    else {
      StartTimer(332);
      for (ihermite = 0; ihermite<2; ihermite++) {
        idx = i + ihermite;
        child_pairhopp_GetInfo(idx, X);
        dam_pr += child_pairhopp(tmp_v0, tmp_v1, X);            
      }/*for (ihermite = 0; ihermite<2; ihermite++)*/
      StopTimer(332);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NPairHopping; i += 2)*/
  StopTimer(330);  
  StartTimer(340);
  for (i = 0; i < X->Def.NExchangeCoupling; i ++) {
    sigma1 = 0;
    sigma2 = 1;
    dam_pr=0.0;
    if (X->Def.ExchangeCoupling[i][0] + 1 > X->Def.Nsite ||
        X->Def.ExchangeCoupling[i][1] + 1 > X->Def.Nsite) 
    {
      StartTimer(341);
      dam_pr = X_child_CisAjtCkuAlv_Hubbard_MPI(
        X->Def.ExchangeCoupling[i][0], sigma1, X->Def.ExchangeCoupling[i][1], sigma1,
        X->Def.ExchangeCoupling[i][1], sigma2, X->Def.ExchangeCoupling[i][0], sigma2,
        X->Def.ParaExchangeCoupling[i], X, tmp_v0, tmp_v1);
      StopTimer(341);
    }
    else {
      StartTimer(342);
      child_exchange_GetInfo(i, X);
      dam_pr = child_exchange(tmp_v0, tmp_v1, X);
      StopTimer(342);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NExchangeCoupling; i ++)*/
  StopTimer(340);

  StopTimer(300);
  return 0;
}/*int mltplyHubbard*/

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mltplyHubbardGC()

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

perform Hamiltonian vector product for (extended) Hubbard type model (Grandcanonical). \({\bf v}_0 = {\hat H}{\bf v}_1\)

Returns

errorcode. 0 for normal, other error

Transfer

Inter All

Pair hopping

Exchange

Parameters

[in,out]	X
[in,out]	tmp_v0	Result vector
[in]	tmp_v1	Input producted vector

Definition at line 347 of file mltplyHubbard.c.

References CheckPE(), child_exchange_GetInfo(), child_general_hopp_GetInfo(), child_general_int_GetInfo(), child_pairhopp_GetInfo(), BindStruct::Def, DefineList::EDGeneralTransfer, DefineList::EDNTransfer, DefineList::EDParaGeneralTransfer, DefineList::ExchangeCoupling, GC_child_exchange(), GC_child_general_hopp(), GC_child_general_hopp_MPIdouble(), GC_child_general_hopp_MPIsingle(), GC_child_general_int(), GC_child_pairhopp(), DefineList::InterAll_OffDiagonal, BindStruct::Large, DefineList::NExchangeCoupling, DefineList::NInterAll_OffDiagonal, DefineList::NPairHopping, DefineList::Nsite, DefineList::OrgTpow, DefineList::PairHopping, DefineList::ParaExchangeCoupling, DefineList::ParaInterAll_OffDiagonal, DefineList::ParaPairHopping, LargeList::prdct, StartTimer(), StopTimer(), TRUE, X_GC_child_CisAisCjtAjt_Hubbard_MPI(), X_GC_child_CisAisCjtAku_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

Referenced by mltply().

 {
  long unsigned int i;
  long unsigned int isite1, isite2, sigma1, sigma2;
  long unsigned int isite3, isite4, sigma3, sigma4;
  long unsigned int ibitsite1, ibitsite2, ibitsite3, ibitsite4;

  double complex dam_pr;
  double complex tmp_trans;
  /*[s] For InterAll */
  double complex tmp_V;
  /*[e] For InterAll */

  int ihermite=0;
  int idx=0;

  StartTimer(200);
  StartTimer(210);
  for (i = 0; i < X->Def.EDNTransfer; i += 2) {
    if (X->Def.EDGeneralTransfer[i][0] + 1 > X->Def.Nsite &&
        X->Def.EDGeneralTransfer[i][2] + 1 > X->Def.Nsite) {
      StartTimer(211);
      GC_child_general_hopp_MPIdouble(i, X, tmp_v0, tmp_v1);
      StopTimer(211);
    }
    else if (X->Def.EDGeneralTransfer[i][2] + 1 > X->Def.Nsite){
      StartTimer(212);
      GC_child_general_hopp_MPIsingle(i, X, tmp_v0, tmp_v1);
      StopTimer(212);
    }
    else if (X->Def.EDGeneralTransfer[i][0] + 1 > X->Def.Nsite) {
      StartTimer(212);
      GC_child_general_hopp_MPIsingle(i+1, X, tmp_v0, tmp_v1);
      StopTimer(212);
    }
    else {
      StartTimer(213);
      for (ihermite = 0; ihermite<2; ihermite++) {
        idx = i + ihermite;
        isite1 = X->Def.EDGeneralTransfer[idx][0] + 1;
        isite2 = X->Def.EDGeneralTransfer[idx][2] + 1;
        sigma1 = X->Def.EDGeneralTransfer[idx][1];
        sigma2 = X->Def.EDGeneralTransfer[idx][3];
        if (child_general_hopp_GetInfo(X, isite1, isite2, sigma1, sigma2) != 0) {
          return -1;
        }
        tmp_trans = -X->Def.EDParaGeneralTransfer[idx];
        dam_pr = GC_child_general_hopp(tmp_v0, tmp_v1, X, tmp_trans);
        X->Large.prdct += dam_pr;
      }
      StopTimer(213);
    }
  }/*for (i = 0; i < X->Def.EDNTransfer; i += 2)*/
  StopTimer(210);
  StartTimer(220);
  for (i = 0; i < X->Def.NInterAll_OffDiagonal; i+=2) {
    isite1 = X->Def.InterAll_OffDiagonal[i][0] + 1;
    isite2 = X->Def.InterAll_OffDiagonal[i][2] + 1;
    isite3 = X->Def.InterAll_OffDiagonal[i][4] + 1;
    isite4 = X->Def.InterAll_OffDiagonal[i][6] + 1;
    sigma1 = X->Def.InterAll_OffDiagonal[i][1];
    sigma2 = X->Def.InterAll_OffDiagonal[i][3];
    sigma3 = X->Def.InterAll_OffDiagonal[i][5];
    sigma4 = X->Def.InterAll_OffDiagonal[i][7];
    tmp_V = X->Def.ParaInterAll_OffDiagonal[i];

    if ( CheckPE(isite1 - 1, X) == TRUE || CheckPE(isite2 - 1, X) == TRUE
      || CheckPE(isite3 - 1, X) == TRUE || CheckPE(isite4 - 1, X) == TRUE) 
    {
      StartTimer(221);
      ibitsite1 = X->Def.OrgTpow[2 * isite1 - 2 + sigma1];
      ibitsite2 = X->Def.OrgTpow[2 * isite2 - 2 + sigma2];
      ibitsite3 = X->Def.OrgTpow[2 * isite3 - 2 + sigma3];
      ibitsite4 = X->Def.OrgTpow[2 * isite4 - 2 + sigma4];
      if (ibitsite1 == ibitsite2 && ibitsite3 == ibitsite4) 
        dam_pr = X_GC_child_CisAisCjtAjt_Hubbard_MPI(
          isite1 - 1, sigma1, isite3 - 1, sigma3, tmp_V, X, tmp_v0, tmp_v1);
      else if (ibitsite1 == ibitsite2 && ibitsite3 != ibitsite4) 
        dam_pr = X_GC_child_CisAisCjtAku_Hubbard_MPI(
          isite1 - 1, sigma1, isite3 - 1, sigma3, isite4 - 1, sigma4, tmp_V, X, tmp_v0, tmp_v1);
      else if (ibitsite1 != ibitsite2 && ibitsite3 == ibitsite4) 
        dam_pr = X_GC_child_CisAjtCkuAku_Hubbard_MPI(
          isite1 - 1, sigma1, isite2 - 1, sigma2, isite3 - 1, sigma3, tmp_V, X, tmp_v0, tmp_v1);
      else if (ibitsite1 != ibitsite2 && ibitsite3 != ibitsite4) 
        dam_pr = X_GC_child_CisAjtCkuAlv_Hubbard_MPI(
          isite1 - 1, sigma1, isite2 - 1, sigma2, isite3 - 1, sigma3, isite4 - 1, sigma4, tmp_V, X, tmp_v0, tmp_v1);
      StopTimer(221);
    }//InterPE
    else{
      StartTimer(222);
      dam_pr=0.0;
      for(ihermite=0; ihermite<2; ihermite++){
        idx=i+ihermite;
        isite1 = X->Def.InterAll_OffDiagonal[idx][0] + 1;
        isite2 = X->Def.InterAll_OffDiagonal[idx][2] + 1;
        isite3 = X->Def.InterAll_OffDiagonal[idx][4] + 1;
        isite4 = X->Def.InterAll_OffDiagonal[idx][6] + 1;
        sigma1 = X->Def.InterAll_OffDiagonal[idx][1];
        sigma2 = X->Def.InterAll_OffDiagonal[idx][3];
        sigma3 = X->Def.InterAll_OffDiagonal[idx][5];
        sigma4 = X->Def.InterAll_OffDiagonal[idx][7];
        tmp_V = X->Def.ParaInterAll_OffDiagonal[idx];
          
        child_general_int_GetInfo(i, X, isite1, isite2, isite3, isite4, 
                                        sigma1, sigma2, sigma3, sigma4, tmp_V); 
        dam_pr += GC_child_general_int(tmp_v0, tmp_v1, X);
      }/*for(ihermite=0; ihermite<2; ihermite++)*/
      StopTimer(222);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NInterAll_OffDiagonal; i+=2)*/
  StopTimer(220);
  StartTimer(230);
  for (i = 0; i < X->Def.NPairHopping; i +=2) {
    sigma1 = 0;
    sigma2 = 1;
    dam_pr = 0.0;
    if ( X->Def.PairHopping[i][0] + 1 > X->Def.Nsite
      || X->Def.PairHopping[i][1] + 1 > X->Def.Nsite) 
    {
      StartTimer(231);
      dam_pr = X_GC_child_CisAjtCkuAlv_Hubbard_MPI(
        X->Def.PairHopping[i][0], sigma1, X->Def.PairHopping[i][1], sigma1,
        X->Def.PairHopping[i][0], sigma2, X->Def.PairHopping[i][1], sigma2,
        X->Def.ParaPairHopping[i], X, tmp_v0, tmp_v1);
      StopTimer(231);
    }
    else {
      StartTimer(232);
      for (ihermite = 0; ihermite<2; ihermite++) {
        idx = i + ihermite;
        child_pairhopp_GetInfo(idx, X);
        dam_pr += GC_child_pairhopp(tmp_v0, tmp_v1, X);
      }/*for (ihermite = 0; ihermite<2; ihermite++)*/
      StopTimer(232);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NPairHopping; i += 2)*/
  StopTimer(230);
  StartTimer(240);
  for (i = 0; i < X->Def.NExchangeCoupling; i++) {
    sigma1=0;
    sigma2=1;
    dam_pr=0.0;
    if ( X->Def.ExchangeCoupling[i][0] + 1 > X->Def.Nsite
      || X->Def.ExchangeCoupling[i][1] + 1 > X->Def.Nsite) 
    {
      StartTimer(241);
      dam_pr = X_GC_child_CisAjtCkuAlv_Hubbard_MPI(
        X->Def.ExchangeCoupling[i][0], sigma1, X->Def.ExchangeCoupling[i][1], sigma1,
        X->Def.ExchangeCoupling[i][1], sigma2, X->Def.ExchangeCoupling[i][0], sigma2,
        X->Def.ParaExchangeCoupling[i], X, tmp_v0, tmp_v1);
      StopTimer(241);
    }
    else {
      StartTimer(242);
      child_exchange_GetInfo(i, X);
      dam_pr = GC_child_exchange(tmp_v0, tmp_v1, X);
      StopTimer(242);
    }
    X->Large.prdct += dam_pr;
  }/*for (i = 0; i < X->Def.NExchangeCoupling; i++)*/
  StopTimer(240);

  StopTimer(200);
  return 0;
}/*int mltplyHubbardGC*/

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