mltplyMPIHubbardCore.c File Reference

Functions for Hubbar + MPI (Core) More...

#include "mpi.h"
#include "Common.h"
#include "mltplyCommon.h"
#include "mltplyHubbardCore.h"
#include "mltplyMPIHubbard.h"
#include "mltplyMPIHubbardCore.h"
#include "bitcalc.h"
#include "wrapperMPI.h"

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Functions
int	CheckPE (int org_isite, struct BindStruct *X)
	Check whether this site is in the inter process region or not. More...
int	CheckBit_Cis (long unsigned int is1_spin, long unsigned int orgbit, long unsigned int *offbit)
	Check the occupation of \((i,s)\) state, and compute the index of final wavefunction associated to \(c^\dagger_{is}\). More...
int	CheckBit_Ajt (long unsigned int is1_spin, long unsigned int orgbit, long unsigned int *offbit)
	Check the occupation of \((i,s)\) state, and compute the index of final wavefunction associated to \(c_{jt}\). More...
int	CheckBit_InterAllPE (int org_isite1, int org_isigma1, int org_isite2, int org_isigma2, int org_isite3, int org_isigma3, int org_isite4, int org_isigma4, struct BindStruct *X, long unsigned int orgbit, long unsigned int *offbit)
	Compute the index of final wavefunction associated to \(c_{4}^\dagger c_{3}c_{2}^\dagger c_{1}\), and check whether this operator is relevant or not. More...
int	CheckBit_PairPE (int org_isite1, int org_isigma1, int org_isite3, int org_isigma3, struct BindStruct *X, long unsigned int orgbit)
	Check the occupation of both site 1 and site 3. More...
int	GetSgnInterAll (unsigned long int isite1, unsigned long int isite2, unsigned long int isite3, unsigned long int isite4, int *Fsgn, struct BindStruct *X, unsigned long int orgbit, unsigned long int *offbit)
	Compute the index of final wavefunction associated to \(c_{4}^\dagger c_{3}c_{2}^\dagger c_{1}\), and Fermion sign. More...
double complex	X_GC_child_CisAisCjtAjt_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite3, int org_ispin3, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{jt}\) term of grandcanonical Hubbard system. More...
double complex	X_GC_child_CisAjtCkuAku_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite2, int org_ispin2, int org_isite3, int org_ispin3, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{ku}\) term of grandcanonical Hubbard system. More...
double complex	X_GC_child_CisAisCjtAku_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite3, int org_ispin3, int org_isite4, int org_ispin4, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{ku}\) term of grandcanonical Hubbard system. More...
double complex	X_GC_child_CisAjtCkuAlv_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite2, int org_ispin2, int org_isite3, int org_ispin3, int org_isite4, int org_ispin4, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{lv}\) term of grandcanonical Hubbard system. More...
double complex	X_GC_child_CisAis_Hubbard_MPI (int org_isite1, int org_ispin1, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{is}\) term of grandcanonical Hubbard system. More...
double complex	X_GC_child_CisAjt_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite2, int org_ispin2, double complex tmp_trans, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{jt}\) term of grandcanonical Hubbard system. More...
double complex	X_child_CisAisCjtAjt_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite3, int org_ispin3, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{jt}\) term of canonical Hubbard system. More...
double complex	X_child_CisAjtCkuAlv_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite2, int org_ispin2, int org_isite3, int org_ispin3, int org_isite4, int org_ispin4, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{lv}\) term of canonical Hubbard system. More...
double complex	X_child_CisAjtCkuAku_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite2, int org_ispin2, int org_isite3, int org_ispin3, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{ku}\) term of canonical Hubbard system. More...
double complex	X_child_CisAisCjtAku_Hubbard_MPI (int org_isite1, int org_ispin1, int org_isite3, int org_ispin3, int org_isite4, int org_ispin4, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{ku}\) term of canonical Hubbard system. More...
double complex	X_child_CisAis_Hubbard_MPI (int org_isite1, int org_ispin1, double complex tmp_V, struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
double complex	X_GC_Cis_MPI (int org_isite, int org_ispin, double complex tmp_trans, double complex *tmp_v0, double complex *tmp_v1, unsigned long int idim_max, double complex *tmp_v1buf, unsigned long int *Tpow)
	Single creation/annihilation operator in the inter process region for HubbardGC. More...
double complex	X_GC_Ajt_MPI (int org_isite, int org_ispin, double complex tmp_trans, double complex *tmp_v0, double complex *tmp_v1, unsigned long int idim_max, double complex *tmp_v1buf, unsigned long int *Tpow)
	Single creation/annihilation operator in the inter process region for HubbardGC. More...
double complex	X_Cis_MPI (int org_isite, unsigned int org_ispin, double complex tmp_trans, double complex *tmp_v0, double complex *tmp_v1, double complex *tmp_v1buf, unsigned long int idim_max, long unsigned int *Tpow, long unsigned int *list_1_org, long unsigned int *list_1buf_org, long unsigned int *list_2_1_target, long unsigned int *list_2_2_target, long unsigned int _irght, long unsigned int _ilft, long unsigned int _ihfbit)
	Compute \(c_{is}^\dagger\) term of canonical Hubbard system. More...
double complex	X_Ajt_MPI (int org_isite, unsigned int org_ispin, double complex tmp_trans, double complex *tmp_v0, double complex *tmp_v1, double complex *tmp_v1buf, unsigned long int idim_max, long unsigned int *Tpow, long unsigned int *list_1_org, long unsigned int *list_1buf_org, long unsigned int *list_2_1_target, long unsigned int *list_2_2_target, long unsigned int _irght, long unsigned int _ilft, long unsigned int _ihfbit)
	Compute \(c_{jt}\) term of canonical Hubbard system. More...

Detailed Description

Functions for Hubbar + MPI (Core)

Definition in file mltplyMPIHubbardCore.c.

Function Documentation

CheckBit_Ajt()

int CheckBit_Ajt	(	long unsigned int	is1_spin,
		long unsigned int	orgbit,
		long unsigned int *	offbit
	)

Check the occupation of \((i,s)\) state, and compute the index of final wavefunction associated to \(c_{jt}\).

Returns

1 if occupied, 0 if unoccupied

Parameters

[in]	is1_spin	Index of site+spin
[in]	orgbit	Index of initial wavefunction
[out]	offbit	Index of final wavefunction

Definition at line 70 of file mltplyMPIHubbardCore.c.

References FALSE, and TRUE.

Referenced by CheckBit_InterAllPE(), CheckBit_PairPE(), X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAjtCkuAku_Hubbard_MPI(), X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAisCjtAjt_Hubbard_MPI(), and X_GC_child_CisAjtCkuAku_Hubbard_MPI().

  {
  long unsigned int ibit_tmp;
  ibit_tmp = orgbit & is1_spin;
  if (ibit_tmp != 0) {
    *offbit = orgbit - is1_spin;
    return TRUE;
  }
  *offbit = 0;
  return FALSE;
}/*int CheckBit_Ajt*/

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CheckBit_Cis()

int CheckBit_Cis	(	long unsigned int	is1_spin,
		long unsigned int	orgbit,
		long unsigned int *	offbit
	)

Check the occupation of \((i,s)\) state, and compute the index of final wavefunction associated to \(c^\dagger_{is}\).

Returns

1 if unoccupied, 0 if occupied

Parameters

[in]	is1_spin	Index of site+spin
[in]	orgbit	Index of initial wavefunction
[out]	offbit	Index of final wavefunction

Definition at line 50 of file mltplyMPIHubbardCore.c.

References FALSE, and TRUE.

Referenced by CheckBit_InterAllPE().

  {
  long unsigned int ibit_tmp;
  ibit_tmp = orgbit & is1_spin;
  if (ibit_tmp == 0) {
    *offbit = orgbit + is1_spin;
    return TRUE;
  }
  *offbit = 0;
  return FALSE;
}/*int CheckBit_Cis*/

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CheckBit_InterAllPE()

int CheckBit_InterAllPE	(	int	org_isite1,
		int	org_isigma1,
		int	org_isite2,
		int	org_isigma2,
		int	org_isite3,
		int	org_isigma3,
		int	org_isite4,
		int	org_isigma4,
		struct BindStruct *	X,
		long unsigned int	orgbit,
		long unsigned int *	offbit
	)

Compute the index of final wavefunction associated to \(c_{4}^\dagger c_{3}c_{2}^\dagger c_{1}\), and check whether this operator is relevant or not.

Returns

1 if relevant, 0 if irrelevant

Parameters

[in]	org_isite1	Site 1
[in]	org_isigma1	Spin 1
[in]	org_isite2	Site 2
[in]	org_isigma2	Spin 2
[in]	org_isite3	Site 3
[in]	org_isigma3	Spin 3
[in]	org_isite4	Site 4
[in]	org_isigma4	Spin 4
[in,out]	X
[in]	orgbit	Index of initial wavefunction
[out]	offbit	Index of final wavefunction

Definition at line 90 of file mltplyMPIHubbardCore.c.

References CheckBit_Ajt(), CheckBit_Cis(), CheckPE(), BindStruct::Def, FALSE, DefineList::Tpow, and TRUE.

Referenced by X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

 {
  long unsigned int tmp_ispin;
  long unsigned int tmp_org, tmp_off;
  int iflgBitExist = TRUE;
  tmp_org=orgbit;
  tmp_off=0;

  if (CheckPE(org_isite1, X) == TRUE) {
    tmp_ispin = X->Def.Tpow[2 * org_isite1 + org_isigma1];
    if (CheckBit_Ajt(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist = FALSE;
    }
    tmp_org = tmp_off;
  }

  if (CheckPE(org_isite2, X) == TRUE ) {
    tmp_ispin = X->Def.Tpow[2 * org_isite2 + org_isigma2];
    if (CheckBit_Cis(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist = FALSE;
    }
    tmp_org = tmp_off;
  }

  if (CheckPE(org_isite3, X) == TRUE) {
    tmp_ispin = X->Def.Tpow[2 * org_isite3 + org_isigma3];
    if (CheckBit_Ajt(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist = FALSE;
    }
    tmp_org = tmp_off;
  }

  if (CheckPE(org_isite4, X) == TRUE) {
    tmp_ispin = X->Def.Tpow[2 * org_isite4 + org_isigma4];
    if (CheckBit_Cis(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist = FALSE;
    }
    tmp_org = tmp_off;
  }

  if(iflgBitExist != TRUE){
    *offbit=0;
    return FALSE;
  }
  
  *offbit=tmp_org;
  return TRUE;
}/*int CheckBit_InterAllPE*/

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CheckBit_PairPE()

int CheckBit_PairPE	(	int	org_isite1,
		int	org_isigma1,
		int	org_isite3,
		int	org_isigma3,
		struct BindStruct *	X,
		long unsigned int	orgbit
	)

Check the occupation of both site 1 and site 3.

Returns

1 if both sites are occupied, 0 if not

Parameters

[in]	org_isite1	Site 1
[in]	org_isigma1	Spin 1
[in]	org_isite3	Site 3
[in]	org_isigma3	Spin 4
[in,out]	X
[in]	orgbit	Index pf intial wavefunction

Definition at line 153 of file mltplyMPIHubbardCore.c.

References CheckBit_Ajt(), CheckPE(), BindStruct::Def, FALSE, DefineList::Tpow, and TRUE.

Referenced by X_child_CisAisCjtAjt_Hubbard_MPI(), and X_GC_child_CisAisCjtAjt_Hubbard_MPI().

 {
  long unsigned int tmp_ispin;
  long unsigned int tmp_org, tmp_off;
  int iflgBitExist = TRUE;
  tmp_org=orgbit;
  
  if(CheckPE(org_isite1, X)==TRUE){
    tmp_ispin = X->Def.Tpow[2 * org_isite1 + org_isigma1];
    if (CheckBit_Ajt(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist=FALSE;
    }
  }
  
  if (CheckPE(org_isite3, X) == TRUE) {
    tmp_ispin = X->Def.Tpow[2 * org_isite3 + org_isigma3];
    if (CheckBit_Ajt(tmp_ispin, tmp_org, &tmp_off) != TRUE) {
      iflgBitExist = FALSE;
    }
  }
  
  if(iflgBitExist != TRUE){
    return FALSE;
  }

  return TRUE;
}/*int CheckBit_PairPE*/

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CheckPE()

int CheckPE	(	int	org_isite,
		struct BindStruct *	X
	)

Check whether this site is in the inter process region or not.

Returns

1 if it is inter-process region, 0 if not.

Parameters

[in]	org_isite	Site index
[in,out]	X

Definition at line 33 of file mltplyMPIHubbardCore.c.

References BindStruct::Def, FALSE, DefineList::Nsite, and TRUE.

Referenced by CheckBit_InterAllPE(), CheckBit_PairPE(), expec_cisajscktalt_Hubbard(), expec_cisajscktalt_HubbardGC(), mltplyHubbard(), and mltplyHubbardGC().

 {
  if (org_isite + 1 > X->Def.Nsite) {
    return TRUE;
  }
  else {
    return FALSE;
  }
}/*int CheckPE*/

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GetSgnInterAll()

int GetSgnInterAll	(	unsigned long int	isite1,
		unsigned long int	isite2,
		unsigned long int	isite3,
		unsigned long int	isite4,
		int *	Fsgn,
		struct BindStruct *	X,
		unsigned long int	orgbit,
		unsigned long int *	offbit
	)

Compute the index of final wavefunction associated to \(c_{4}^\dagger c_{3}c_{2}^\dagger c_{1}\), and Fermion sign.

Returns

1 if relevant, 0 if irrelevant

Parameters

[in]	isite1	Site 1
[in]	isite2	Site 2
[in]	isite3	Site 3
[in]	isite4	Site 4
[out]	Fsgn	Fermion sign
[in,out]	X
[in]	orgbit	Index of the initial state
[out]	offbit	Index of the final state

Definition at line 192 of file mltplyMPIHubbardCore.c.

References BindStruct::Def, FALSE, DefineList::Nsite, DefineList::OrgTpow, TRUE, and X_GC_CisAjt().

Referenced by X_child_CisAjtCkuAku_Hubbard_MPI(), X_child_CisAjtCkuAlv_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

 {
  long unsigned int diffA;
  long unsigned int tmp_off;
  long unsigned int tmp_ispin1, tmp_ispin2;
  int tmp_sgn=0;

  tmp_ispin1=isite2;
  tmp_ispin2=isite1;

  if (tmp_ispin1 == tmp_ispin2) {
    if ((orgbit & tmp_ispin1) == 0) {
      *offbit = 0;
      *Fsgn = tmp_sgn;
      return FALSE;
    }
    tmp_sgn=1;
    tmp_off = orgbit;
  }
  else {
    if (tmp_ispin2 > tmp_ispin1) diffA = tmp_ispin2 - tmp_ispin1 * 2;
    else diffA = tmp_ispin1-tmp_ispin2*2;

    tmp_sgn=X_GC_CisAjt(orgbit, X, tmp_ispin1, tmp_ispin2, tmp_ispin1+tmp_ispin2, diffA, &tmp_off);
    if(tmp_sgn ==0){
      *offbit =0;
      *Fsgn = 0;
      return FALSE;
    }
  }

  tmp_ispin1 = isite4;
  tmp_ispin2 = isite3;

  if(tmp_ispin1 == tmp_ispin2){
    if( (tmp_off & tmp_ispin1) == 0){
      *offbit =0;
      *Fsgn = 0;
      return FALSE;
    }
    *offbit=tmp_off;
  }
  else{
    if(tmp_ispin2 > tmp_ispin1) diffA = tmp_ispin2 - tmp_ispin1*2;
    else diffA = tmp_ispin1-tmp_ispin2*2;
    tmp_sgn *=X_GC_CisAjt(tmp_off, X, tmp_ispin1, tmp_ispin2, tmp_ispin1+tmp_ispin2, diffA, offbit);
    
    if(tmp_sgn ==0){
      *offbit =0;
      *Fsgn = 0;
      return FALSE;
    }
  }
  
  *Fsgn =tmp_sgn;
  *offbit = *offbit%X->Def.OrgTpow[2*X->Def.Nsite];
  return TRUE;
}/*int GetSgnInterAll*/

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X_Ajt_MPI()

double complex X_Ajt_MPI	(	int	org_isite,
		unsigned int	org_ispin,
		double complex	tmp_trans,
		double complex *	tmp_v0,
		double complex *	tmp_v1,
		double complex *	tmp_v1buf,
		unsigned long int	idim_max,
		long unsigned int *	Tpow,
		long unsigned int *	list_1_org,
		long unsigned int *	list_1buf_org,
		long unsigned int *	list_2_1_target,
		long unsigned int *	list_2_2_target,
		long unsigned int	_irght,
		long unsigned int	_ilft,
		long unsigned int	_ihfbit
	)

Compute \(c_{jt}\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite	Site j
[in]	org_ispin	Spin t
[in]	tmp_trans	Coupling constant
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction
[in]	tmp_v1buf	buffer for wavefunction
[in]	idim_max	Similar to CheckList::idim_max
[in]	Tpow	Similar to DefineList::Tpow
[in]	list_1_org	Similar to list_1
[in]	list_1buf_org	Similar to list_1buf
[in]	list_2_1_target	Similar to list_2_1
[in]	list_2_2_target	Similar to list_2_2
[in]	_irght	Similer to LargeList::irght
[in]	_ilft	Similer to LargeList::ilft
[in]	_ihfbit	Similer to LargeList::ihfbit

Definition at line 1621 of file mltplyMPIHubbardCore.c.

References exitMPI(), GetOffComp(), myrank, and SgnBit().

Referenced by GetSingleExcitedStateHubbard().

 {
#ifdef MPI
  int mask2, state2, ierr, origin, bit2diff, Fsgn;
  unsigned long int idim_max_buf, j, ioff;
  MPI_Status statusMPI;
  double complex trans, dmv, dam_pr;

  // org_isite >= Nsite
  mask2 = (int)Tpow[2 * org_isite + org_ispin];

  origin = myrank ^ mask2; // XOR
  state2 = origin & mask2;

  //if state2 = mask2, the state (org_isite, org_ispin) is not occupied in myrank
  //origin: if the state (org_isite, org_ispin) is occupied in myrank, the state is not occupied in origin.

  bit2diff = myrank - ((2 * mask2 - 1) & myrank);

  SgnBit((unsigned long int) (bit2diff), &Fsgn); // Fermion sign
  ierr = MPI_Sendrecv(&idim_max,     1, MPI_UNSIGNED_LONG, origin, 0,
                      &idim_max_buf, 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(list_1_org,        idim_max + 1, MPI_UNSIGNED_LONG, origin, 0,
                      list_1buf_org, idim_max_buf + 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(tmp_v1,        idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      tmp_v1buf, idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  if (state2 == 0) {
    trans = 0;
  }
  else if (state2 == mask2) {
    trans = (double)Fsgn * tmp_trans;
  }
  else return 0;

  dam_pr = 0.0;
#pragma omp parallel for default(none) private(j, dmv) \
firstprivate(idim_max_buf, trans, ioff, _irght, _ilft, _ihfbit, list_2_1_target, list_2_2_target) \
shared(tmp_v1buf, tmp_v1, tmp_v0, list_1buf_org)
  for (j = 1; j <= idim_max_buf; j++) {
    GetOffComp(list_2_1_target, list_2_2_target, list_1buf_org[j],
      _irght, _ilft, _ihfbit, &ioff);
    dmv = trans * tmp_v1buf[j];
    tmp_v0[ioff] += dmv;
  }
  return (dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_Ajt_MPI*/

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X_child_CisAis_Hubbard_MPI()

double complex X_child_CisAis_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 1335 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), BindStruct::Def, FALSE, CheckList::idim_max, BindStruct::Large, list_1, LargeList::mode, myrank, DefineList::Nsite, DefineList::Tpow, and X_CisAis().

Referenced by X_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int j, isite1, tmp_off;
  double complex dmv;
//  MPI_Status statusMPI;

  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  if (org_isite1 + 1 > X->Def.Nsite) {
    if (CheckBit_Ajt(isite1, (unsigned long int) myrank, &tmp_off) == FALSE)
      return 0.0;

#pragma omp parallel reduction(+:dam_pr) default(none) shared(tmp_v0, tmp_v1) \
  firstprivate(i_max, tmp_V, X) private(dmv, j, tmp_off)
    {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          tmp_v0[j] += dmv;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }
    }/*End of parallel*/
  }/*if (org_isite1 + 1 > X->Def.Nsite)*/
  else {
#pragma omp parallel reduction(+:dam_pr) default(none) shared(tmp_v0, tmp_v1, list_1) \
  firstprivate(i_max, tmp_V, X, isite1) private(dmv, j, tmp_off)
    {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (X_CisAis(list_1[j], X, isite1) != 0) {
            dmv = tmp_v1[j] * tmp_V;
            tmp_v0[j] += dmv;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }/*if (X_CisAis(list_1[j], X, isite1) != 0)*/
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (X_CisAis(list_1[j], X, isite1) != 0) {
            dmv = tmp_v1[j] * tmp_V;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }/*if (X_CisAis(list_1[j], X, isite1) != 0)*/
        }/*for (j = 1; j <= i_max; j++)*/
      }
    }/*End of parallel region*/
  }/*if (org_isite1 + 1 <= X->Def.Nsite)*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_child_CisAis_Hubbard_MPI*/

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X_child_CisAisCjtAjt_Hubbard_MPI()

double complex X_child_CisAisCjtAjt_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite3,
		int	org_ispin3,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{jt}\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 829 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), CheckBit_PairPE(), BindStruct::Def, CheckList::idim_max, BindStruct::Large, list_1, LargeList::mode, myrank, DefineList::Nsite, DefineList::Tpow, and TRUE.

Referenced by expec_cisajscktalt_Hubbard(), mltplyHubbard(), and X_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  int iCheck;
  unsigned long int tmp_ispin1;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int tmp_off, j;
  double complex dmv;
//    MPI_Status statusMPI;

  iCheck = CheckBit_PairPE(org_isite1, org_ispin1, org_isite3, org_ispin3, X, (long unsigned int) myrank);
  if (iCheck != TRUE) return 0.0;
  
#pragma omp parallel reduction(+:dam_pr) default(none) \
shared(tmp_v0, tmp_v1, list_1, org_isite1, org_ispin1, org_isite3, org_ispin3) \
  firstprivate(i_max, tmp_V, X, tmp_ispin1) private(dmv, j, tmp_off)
  {
    if (org_isite1 + 1 > X->Def.Nsite && org_isite3 + 1 > X->Def.Nsite) {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          tmp_v0[j] += dmv;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }/*if (org_isite1 + 1 > X->Def.Nsite && org_isite3 + 1 > X->Def.Nsite)*/
    else if (org_isite1 + 1 > X->Def.Nsite || org_isite3 + 1 > X->Def.Nsite) {
      if (org_isite1 > org_isite3) tmp_ispin1 = X->Def.Tpow[2 * org_isite3 + org_ispin3];
      else                         tmp_ispin1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];

      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(tmp_ispin1, list_1[j], &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            tmp_v0[j] += dmv;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(tmp_ispin1, list_1[j], &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }/*if (org_isite1 + 1 > X->Def.Nsite || org_isite3 + 1 > X->Def.Nsite)*/
  }/*End of parallel region*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_child_CisAisCjtAjt_Hubbard_MPI*/

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X_child_CisAisCjtAku_Hubbard_MPI()

double complex X_child_CisAisCjtAku_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite3,
		int	org_ispin3,
		int	org_isite4,
		int	org_ispin4,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{ku}\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	org_isite4	Site 4
[in]	org_ispin4	Spin 4
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 1310 of file mltplyMPIHubbardCore.c.

References X_child_CisAjtCkuAku_Hubbard_MPI().

Referenced by expec_cisajscktalt_Hubbard(), mltplyHubbard(), and X_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0;
  
  dam_pr = X_child_CisAjtCkuAku_Hubbard_MPI(
    org_isite4, org_ispin4, org_isite3, org_ispin3,
    org_isite1, org_ispin1, conj(tmp_V), X, tmp_v0, tmp_v1);
  
  return conj(dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_child_CisAisCjtAku_Hubbard_MPI*/

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X_child_CisAjtCkuAku_Hubbard_MPI()

double complex X_child_CisAjtCkuAku_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite2,
		int	org_ispin2,
		int	org_isite3,
		int	org_ispin3,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{ku}\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite2	Site 2
[in]	org_ispin2	Spin 2
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 1121 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), CheckBit_InterAllPE(), CisAjt(), BindStruct::Def, exitMPI(), GetOffComp(), GetSgnInterAll(), CheckList::idim_max, LargeList::ihfbit, LargeList::ilft, LargeList::irght, BindStruct::Large, list_1, list_1buf, list_2_1, list_2_2, LargeList::mode, myrank, DefineList::Nsite, DefineList::OrgTpow, SgnBit(), DefineList::Tpow, TRUE, and v1buf.

Referenced by expec_cisajscktalt_Hubbard(), mltplyHubbard(), X_child_CisAisCjtAku_Hubbard_MPI(), and X_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int idim_max_buf, ioff;
  int iCheck, ierr, Fsgn;
  unsigned long int isite1, isite2, isite3;
  unsigned long int tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4;
  unsigned long int j, Asum, Adiff;
  double complex dmv;
  unsigned long int origin, tmp_off;
  unsigned long int org_rankbit;
  MPI_Status statusMPI;
  //printf("Deubg0-0: org_isite1=%d, org_ispin1=%d, org_isite2=%d, org_ispin2=%d, org_isite3=%d, org_ispin3=%d\n", org_isite1, org_ispin1,org_isite2, org_ispin2,org_isite3, org_ispin3);
  iCheck = CheckBit_InterAllPE(org_isite1, org_ispin1, org_isite2, org_ispin2, org_isite3, org_ispin3, org_isite3, org_ispin3, X, (long unsigned int) myrank, &origin);
  //printf("iCheck=%d, myrank=%d, origin=%d\n", iCheck, myrank, origin);

  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  isite2 = X->Def.Tpow[2 * org_isite2 + org_ispin2];
  isite3 = X->Def.Tpow[2 * org_isite3 + org_ispin3];

  if (iCheck == TRUE) {
    tmp_isite1 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
    tmp_isite2 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
    tmp_isite3 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    tmp_isite4 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    Asum = tmp_isite1 + tmp_isite2;
    if (tmp_isite2 > tmp_isite1) Adiff = tmp_isite2 - tmp_isite1 * 2;
    else Adiff = tmp_isite1 - tmp_isite2 * 2;
  }/*if (iCheck == TRUE)*/
  else {
    iCheck = CheckBit_InterAllPE(org_isite3, org_ispin3, org_isite3, org_ispin3, org_isite2, org_ispin2, org_isite1, org_ispin1, X, (long unsigned int) myrank, &origin);
    if (iCheck == TRUE) {
      tmp_V = conj(tmp_V);
      tmp_isite4 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
      tmp_isite3 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
      tmp_isite2 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      tmp_isite1 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      Asum = tmp_isite3 + tmp_isite4;
      if (tmp_isite4 > tmp_isite3) Adiff = tmp_isite4 - tmp_isite3 * 2;
      else Adiff = tmp_isite3 - tmp_isite4 * 2;
      if (X->Large.mode == M_CORR || X->Large.mode == M_CALCSPEC) tmp_V = 0;
      //printf("tmp_isite1=%ld, tmp_isite2=%ld, Adiff=%ld\n", tmp_isite1, tmp_isite2, Adiff);
    }/*if (iCheck == TRUE)*/
    else return 0.0;   
  }/*if (iCheck == FALSE)*/

  if (myrank == origin) {// only k is in PE
    //for hermite
#pragma omp parallel default(none) reduction(+:dam_pr) \
firstprivate(i_max, Asum, Adiff, isite1, isite2, tmp_V, X) private(j) shared(tmp_v0, tmp_v1)
    {
#pragma omp for
      for (j = 1; j <= i_max; j++)
        dam_pr += CisAjt(j, tmp_v0, tmp_v1, X, isite1, isite2, Asum, Adiff, tmp_V);

      if (X->Large.mode != M_CORR) {
#pragma omp for
        for (j = 1; j <= i_max; j++)
          dam_pr += CisAjt(j, tmp_v0, tmp_v1, X, isite2, isite1, Asum, Adiff, tmp_V);
      }/*if (X->Large.mode != M_CORR)*/
    }/*End of parallel region*/
    return dam_pr;
  }//myrank =origin
  else {
    ierr = MPI_Sendrecv(&X->Check.idim_max, 1, MPI_UNSIGNED_LONG, origin, 0,
                        &idim_max_buf,      1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);
    ierr = MPI_Sendrecv(list_1, X->Check.idim_max + 1, MPI_UNSIGNED_LONG, origin, 0,
                        list_1buf,   idim_max_buf + 1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

    ierr = MPI_Sendrecv(tmp_v1, X->Check.idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        v1buf,       idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

#pragma omp parallel default(none) reduction(+:dam_pr) private(j, dmv, ioff, tmp_off, Fsgn, Adiff) \
firstprivate(idim_max_buf, tmp_V, X, tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4, org_rankbit, isite3) \
shared(v1buf, tmp_v1, tmp_v0, list_1buf, list_2_1, list_2_2, origin, org_isite3, myrank, isite1, isite2, org_isite1, org_isite2)
    {

      if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite) {
        if (isite2 > isite1) Adiff = isite2 - isite1 * 2;
        else Adiff = isite1 - isite2 * 2;
        SgnBit(((long unsigned int) myrank & Adiff), &Fsgn);
        tmp_V *= Fsgn;

        if (org_isite3 + 1 > X->Def.Nsite) {
          if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              dmv = tmp_V * v1buf[j];
              GetOffComp(list_2_1, list_2_2, list_1buf[j],
                X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
              tmp_v0[ioff] += dmv;
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
          else {
            #pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              dmv = tmp_V * v1buf[j];
              GetOffComp(list_2_1, list_2_2, list_1buf[j], X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
        }/*if (org_isite3 + 1 > X->Def.Nsite)*/
        else { //org_isite3 <= X->Def.Nsite
          if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              if (CheckBit_Ajt(isite3, list_1buf[j], &tmp_off) == TRUE) {
                dmv = tmp_V * v1buf[j];
                GetOffComp(list_2_1, list_2_2, list_1buf[j],
                  X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
                tmp_v0[ioff] += dmv;
                dam_pr += conj(tmp_v1[ioff]) * dmv;
              }
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
          else {
            #pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              if (CheckBit_Ajt(isite3, list_1buf[j], &tmp_off) == TRUE) {
                //printf("calc\n");
                dmv = tmp_V * v1buf[j];
                GetOffComp(list_2_1, list_2_2, list_1buf[j],
                  X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
                dam_pr += conj(tmp_v1[ioff]) * dmv;
              }
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
        }/*if (org_isite3 + 1 <= X->Def.Nsite)*/
      }/*if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite)*/
      else {
        org_rankbit = X->Def.OrgTpow[2 * X->Def.Nsite] * origin;
        if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X,
              list_1buf[j] + org_rankbit, &tmp_off) == TRUE) {
              dmv = tmp_V * v1buf[j] * Fsgn;
              GetOffComp(list_2_1, list_2_2, tmp_off,
                X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
              tmp_v0[ioff] += dmv;
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
        else {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X,
                      list_1buf[j] + org_rankbit, &tmp_off) == TRUE)
            {
              dmv = tmp_V * v1buf[j] * Fsgn;
              GetOffComp(list_2_1, list_2_2, tmp_off,
                X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff);
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
      }
    }/*End of parallel region*/
  }/*if (myrank != origin)*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_child_CisAjtCkuAku_Hubbard_MPI*/

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X_child_CisAjtCkuAlv_Hubbard_MPI()

double complex X_child_CisAjtCkuAlv_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite2,
		int	org_ispin2,
		int	org_isite3,
		int	org_ispin3,
		int	org_isite4,
		int	org_ispin4,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{lv}\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite2	Site 2
[in]	org_ispin2	Spin 2
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	org_isite4	Site 4
[in]	org_ispin4	Spin 4
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 907 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_InterAllPE(), CisAjt(), BindStruct::Def, exitMPI(), FALSE, GetOffComp(), GetSgnInterAll(), CheckList::idim_max, LargeList::ihfbit, LargeList::ilft, LargeList::irght, BindStruct::Large, list_1, list_1buf, list_2_1, list_2_2, LargeList::mode, myrank, DefineList::Nsite, DefineList::OrgTpow, DefineList::Tpow, TRUE, v1buf, X_child_CisAis_Hubbard_MPI(), X_child_CisAisCjtAjt_Hubbard_MPI(), X_child_CisAisCjtAku_Hubbard_MPI(), X_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_CisAjt().

Referenced by expec_cisajscktalt_Hubbard(), and mltplyHubbard().

  {
#ifdef MPI
  double complex dam_pr = 0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int idim_max_buf;
  int iCheck, ierr, Fsgn;
  unsigned long int isite1, isite2, isite3, isite4;
  unsigned long int tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4;
  unsigned long int j, Adiff, Bdiff;
  double complex dmv;
  unsigned long int origin, tmp_off, tmp_off2;
  unsigned long int org_rankbit, ioff;
  int iFlgHermite = FALSE;
  MPI_Status statusMPI;

  iCheck = CheckBit_InterAllPE(org_isite1, org_ispin1, org_isite2, org_ispin2,
                               org_isite3, org_ispin3, org_isite4, org_ispin4,
                               X, (long unsigned int) myrank, &origin);
  //printf("iCheck=%d, myrank=%d, origin=%d\n", iCheck, myrank, origin);
  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  isite2 = X->Def.Tpow[2 * org_isite2 + org_ispin2];
  isite3 = X->Def.Tpow[2 * org_isite3 + org_ispin3];
  isite4 = X->Def.Tpow[2 * org_isite4 + org_ispin4];

  if (iCheck == TRUE) {
    tmp_isite1 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
    tmp_isite2 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
    tmp_isite3 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    tmp_isite4 = X->Def.OrgTpow[2 * org_isite4 + org_ispin4];
  }/*if (iCheck == TRUE)*/
  else {
    iCheck = CheckBit_InterAllPE(org_isite4, org_ispin4, org_isite3, org_ispin3,
                                 org_isite2, org_ispin2, org_isite1, org_ispin1,
                                 X, (long unsigned int) myrank, &origin);
    if (iCheck == TRUE) {
      tmp_V = conj(tmp_V);
      tmp_isite4 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
      tmp_isite3 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
      tmp_isite2 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      tmp_isite1 = X->Def.OrgTpow[2 * org_isite4 + org_ispin4];
      iFlgHermite = TRUE;
      if (X->Large.mode == M_CORR || X->Large.mode == M_CALCSPEC) tmp_V = 0;     
    }/*if (iCheck == TRUE)*/
    else return 0.0;
  }/*if (iCheck == FALSE)*/

  if (myrank == origin) {
    if (isite1 == isite4 && isite2 == isite3) { // CisAjvCjvAis =Cis(1-njv)Ais=nis-nisnjv
            //calc nis
      dam_pr = X_child_CisAis_Hubbard_MPI(org_isite1, org_ispin1, tmp_V, X, tmp_v0, tmp_v1);
      //calc -nisniv
      dam_pr -= X_child_CisAisCjtAjt_Hubbard_MPI(org_isite1, org_ispin1, org_isite3, org_ispin3, tmp_V, X, tmp_v0, tmp_v1);
    }/* if (isite1 == isite4 && isite2 == isite3)*/
    else if (isite2 == isite3) { // CisAjvCjvAku= Cis(1-njv)Aku=-CisAkunjv+CisAku: j is in PE
      if (isite4 > isite1) Adiff = isite4 - isite1 * 2;
      else Adiff = isite1 - isite4 * 2;

      //calc CisAku
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_off) \
firstprivate(i_max, tmp_V, X, isite1, isite4, Adiff) shared(tmp_v1, tmp_v0, list_1)
      for (j = 1; j <= i_max; j++)
        dam_pr += CisAjt(j, tmp_v0, tmp_v1, X, isite1, isite4, (isite1 + isite4), Adiff, tmp_V);
      
      //calc -CisAku njv
      dam_pr -= X_child_CisAjtCkuAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite4, org_ispin4,
                                                 org_isite2, org_ispin2, tmp_V, X, tmp_v0, tmp_v1);

      if (X->Large.mode != M_CORR) {  //for hermite
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_off) \
firstprivate(i_max, tmp_V, X, isite1, isite4, Adiff) shared(tmp_v1, tmp_v0)
        for (j = 1; j <= i_max; j++) 
          dam_pr += CisAjt(j, tmp_v0, tmp_v1, X, isite4, isite1, (isite1 + isite4), Adiff, tmp_V);
                
        //calc -njvCkuAis
        dam_pr -= X_child_CisAisCjtAku_Hubbard_MPI(org_isite2, org_ispin2, org_isite4, org_ispin4, org_isite1, org_ispin1, tmp_V, X, tmp_v0, tmp_v1);
      }/*if (X->Large.mode != M_CORR)*/
    }/*if (isite2 == isite3)*/
    else {// CisAjtCkuAis = -CisAisCkuAjt: i is in PE
      dam_pr = -X_child_CisAisCjtAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite3, org_ispin3, org_isite2, org_ispin2, tmp_V, X, tmp_v0, tmp_v1);

      if (X->Large.mode != M_CORR) //for hermite: CisAkuCjtAis=-CisAisCjtAku
        dam_pr = -X_child_CisAisCjtAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite2, org_ispin2,
                                                   org_isite3, org_ispin3, tmp_V, X, tmp_v0, tmp_v1);    
    }/*if (isite2 != isite3)*/
    return dam_pr;
  }//myrank =origin
  else {
    ierr = MPI_Sendrecv(&X->Check.idim_max, 1, MPI_UNSIGNED_LONG, origin, 0,
                        &idim_max_buf,      1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

    ierr = MPI_Sendrecv(list_1, X->Check.idim_max + 1, MPI_UNSIGNED_LONG, origin, 0,
                        list_1buf,   idim_max_buf + 1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

    ierr = MPI_Sendrecv(tmp_v1, X->Check.idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        v1buf,       idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);
    if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite
     && org_isite3 + 1 > X->Def.Nsite && org_isite4 + 1 > X->Def.Nsite)
    {
      if (isite2 > isite1) Adiff = isite2 - isite1 * 2;
      else Adiff = isite1 - isite2 * 2;
      if (isite4 > isite3) Bdiff = isite4 - isite3 * 2;
      else Bdiff = isite3 - isite4 * 2;

      if (iFlgHermite == FALSE) {
        Fsgn = X_GC_CisAjt((long unsigned int) myrank, X, isite2, isite1, (isite1 + isite2), Adiff, &tmp_off2);
        Fsgn *= X_GC_CisAjt(tmp_off2, X, isite4, isite3, (isite3 + isite4), Bdiff, &tmp_off);
        tmp_V *= Fsgn;
      }/*if (iFlgHermite == FALSE)*/
      else {
        Fsgn = X_GC_CisAjt((long unsigned int) myrank, X, isite3, isite4, (isite3 + isite4), Bdiff, &tmp_off2);
        Fsgn *= X_GC_CisAjt(tmp_off2, X, isite1, isite2, (isite1 + isite2), Adiff, &tmp_off);
        tmp_V *= Fsgn;
      }/*if (iFlgHermite == TRUE)*/
      dam_pr = 0;
#pragma omp parallel default(none) reduction(+:dam_pr) private(j, dmv, ioff) \
firstprivate(idim_max_buf, tmp_V, X) shared(v1buf, tmp_v1, tmp_v0, list_2_1, list_2_2, list_1buf)
      {
        if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetOffComp(list_2_1, list_2_2, list_1buf[j],
              X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff) == TRUE)
            {
              dmv = tmp_V * v1buf[j];
              tmp_v0[ioff] += dmv;
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
        else {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetOffComp(list_2_1, list_2_2, list_1buf[j],
              X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff) == TRUE)
            {
              dmv = tmp_V * v1buf[j];
              dam_pr += conj(tmp_v1[ioff]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
      }/*End of parallel region*/
    }//org_isite1+1 > X->Def.Nsite && org_isite2+1 > X->Def.Nsite
            // && org_isite3+1 > X->Def.Nsite && org_isite4+1 > X->Def.Nsite
    else {
      org_rankbit = X->Def.OrgTpow[2 * X->Def.Nsite] * origin;
      dam_pr = 0;

#pragma omp parallel default(none) reduction(+:dam_pr) private(j, dmv, tmp_off, Fsgn, ioff) \
firstprivate(myrank, idim_max_buf, tmp_V, X, tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4, org_rankbit, \
org_isite1, org_ispin1, org_isite2, org_ispin2, org_isite3, org_ispin3, org_isite4, org_ispin4) \
shared(v1buf, tmp_v1, tmp_v0, list_1buf, list_2_1, list_2_2)
      {
        if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X,
              list_1buf[j] + org_rankbit, &tmp_off) == TRUE)
            {
              if (GetOffComp(list_2_1, list_2_2, tmp_off, X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff) == TRUE)
              {
                dmv = tmp_V * v1buf[j] * Fsgn;
                tmp_v0[ioff] += dmv;
                dam_pr += conj(tmp_v1[ioff]) * dmv;
              }
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
        else {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X,
              list_1buf[j] + org_rankbit, &tmp_off) == TRUE)
            {
              if (GetOffComp(list_2_1, list_2_2, tmp_off,
                X->Large.irght, X->Large.ilft, X->Large.ihfbit, &ioff) == TRUE)
              {
                dmv = tmp_V * v1buf[j] * Fsgn;
                dam_pr += conj(tmp_v1[ioff]) * dmv;
              }
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
      }/*End of parallel region*/
    }
  }/*if (myrank != origin)*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_child_CisAjtCkuAlv_Hubbard_MPI*/

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X_Cis_MPI()

double complex X_Cis_MPI	(	int	org_isite,
		unsigned int	org_ispin,
		double complex	tmp_trans,
		double complex *	tmp_v0,
		double complex *	tmp_v1,
		double complex *	tmp_v1buf,
		unsigned long int	idim_max,
		long unsigned int *	Tpow,
		long unsigned int *	list_1_org,
		long unsigned int *	list_1buf_org,
		long unsigned int *	list_2_1_target,
		long unsigned int *	list_2_2_target,
		long unsigned int	_irght,
		long unsigned int	_ilft,
		long unsigned int	_ihfbit
	)

Compute \(c_{is}^\dagger\) term of canonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite	Site i
[in]	org_ispin	Spin s
[in]	tmp_trans	Coupling constant
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction
[in]	tmp_v1buf	buffer for wavefunction
[in]	idim_max	Similar to CheckList::idim_max
[in]	Tpow	Similar to DefineList::Tpow
[in]	list_1_org	Similar to list_1
[in]	list_1buf_org	Similar to list_1buf
[in]	list_2_1_target	Similar to list_2_1
[in]	list_2_2_target	Similar to list_2_2
[in]	_irght	Similer to LargeList::irght
[in]	_ilft	Similer to LargeList::ilft
[in]	_ihfbit	Similer to LargeList::ihfbit

Definition at line 1542 of file mltplyMPIHubbardCore.c.

References exitMPI(), GetOffComp(), myrank, and SgnBit().

Referenced by GetSingleExcitedStateHubbard().

  {
#ifdef MPI
  int mask2, state2, ierr, origin, bit2diff, Fsgn;
  unsigned long int idim_max_buf, j, ioff;
  MPI_Status statusMPI;
  double complex trans, dmv, dam_pr;

  // org_isite >= Nsite
  mask2 = (int)Tpow[2 * org_isite + org_ispin];

  origin = myrank ^ mask2; // XOR
  state2 = origin & mask2;

  //if state2 = mask2, the state (org_isite, org_ispin) is not occupied in myrank
  //origin: if the state (org_isite, org_ispin) is occupied in myrank, the state is not occupied in origin.

  bit2diff = myrank - ((2 * mask2 - 1) & myrank);

  SgnBit((unsigned long int) (bit2diff), &Fsgn); // Fermion sign

  ierr = MPI_Sendrecv(&idim_max,     1, MPI_UNSIGNED_LONG, origin, 0,
                      &idim_max_buf, 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(list_1_org,        idim_max + 1, MPI_UNSIGNED_LONG, origin, 0,
                      list_1buf_org, idim_max_buf + 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(tmp_v1,        idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      tmp_v1buf, idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  if (state2 == mask2) {
    trans = 0;
  }
  else if (state2 == 0) {
    trans = (double)Fsgn * tmp_trans;
  }
  else return 0;

  dam_pr = 0.0;
#pragma omp parallel for default(none) private(j, dmv) \
firstprivate(idim_max_buf, trans, ioff, _irght, _ilft, _ihfbit, list_2_1_target, list_2_2_target) \
shared(tmp_v1buf, tmp_v1, tmp_v0, list_1buf_org)
  for (j = 1; j <= idim_max_buf; j++) {//idim_max_buf -> original
    GetOffComp(list_2_1_target, list_2_2_target, list_1buf_org[j],
      _irght, _ilft, _ihfbit, &ioff);
    dmv = trans * tmp_v1buf[j];
    tmp_v0[ioff] += dmv;
  }/*for (j = 1; j <= idim_max_buf; j++)*/
  return (dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_GC_Cis_MPI*/

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X_GC_Ajt_MPI()

double complex X_GC_Ajt_MPI	(	int	org_isite,
		int	org_ispin,
		double complex	tmp_trans,
		double complex *	tmp_v0,
		double complex *	tmp_v1,
		unsigned long int	idim_max,
		double complex *	tmp_v1buf,
		unsigned long int *	Tpow
	)

Single creation/annihilation operator in the inter process region for HubbardGC.

Author

Mitsuaki Kawamura (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Youhei Yamaji (The University of Tokyo)

Parameters

[in]	org_isite	Site j
[in]	org_ispin	Spin t
[in]	tmp_trans	Coupling constant//!<[in]
[out]	tmp_v0	Result v0 += H v1*/,
[in]	tmp_v1	v0 += H v1*/,
[in]	idim_max	Similar to CheckList::idim_max
[in]	tmp_v1buf	buffer for wavefunction
[in]	Tpow	Similar to DefineList::Tpow

Definition at line 1480 of file mltplyMPIHubbardCore.c.

References exitMPI(), myrank, and SgnBit().

Referenced by GetSingleExcitedStateHubbardGC().

  {
#ifdef MPI
  int mask2, state2, ierr, origin, bit2diff, Fsgn;
  unsigned long int idim_max_buf, j;
  MPI_Status statusMPI;
  double complex trans, dmv, dam_pr;

  // org_isite >= Nsite
  mask2 = (int)Tpow[2 * org_isite + org_ispin];

  origin = myrank ^ mask2; // XOR
  state2 = origin & mask2;

  //if state2 = mask2, the state (org_isite, org_ispin) is not occupied in myrank
  //origin: if the state (org_isite, org_ispin) is occupied in myrank, the state is not occupied in origin.

  bit2diff = myrank - ((2 * mask2 - 1) & myrank);

  //SgnBit((unsigned long int) (origin & bit2diff), &Fsgn); // Fermion sign
  SgnBit((unsigned long int) (bit2diff), &Fsgn); // Fermion sign

  ierr = MPI_Sendrecv(&idim_max,     1, MPI_UNSIGNED_LONG, origin, 0,
                      &idim_max_buf, 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(tmp_v1,        idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      tmp_v1buf, idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  if (     state2 == 0    ) trans = 0;
  else if (state2 == mask2) trans = (double)Fsgn * tmp_trans;
  else return 0;

  dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv) \
firstprivate(idim_max_buf, trans) shared(tmp_v1buf, tmp_v1, tmp_v0)
  for (j = 0; j < idim_max_buf; j++) {
    dmv = trans * tmp_v1buf[j + 1];
    tmp_v0[j + 1] += dmv;
    dam_pr += conj(tmp_v1[j + 1]) * dmv;
  }
  return (dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_GC_Ajt_MPI*/

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X_GC_child_CisAis_Hubbard_MPI()

double complex X_GC_child_CisAis_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{is}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 721 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), BindStruct::Def, FALSE, CheckList::idim_max, BindStruct::Large, LargeList::mode, myrank, DefineList::Nsite, DefineList::Tpow, and TRUE.

Referenced by X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int j, isite1, tmp_off;
  double complex dmv;
//  MPI_Status statusMPI;

  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  if (org_isite1 + 1 > X->Def.Nsite) {
    if (CheckBit_Ajt(isite1, (unsigned long int) myrank, &tmp_off) == FALSE) return 0.0;

#pragma omp parallel reduction(+:dam_pr) default(none) shared(tmp_v0, tmp_v1) \
  firstprivate(i_max, tmp_V, X) private(dmv, j, tmp_off)
    {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          tmp_v0[j] += dmv;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }/*End of parallel region*/
  }/*if (org_isite1 + 1 > X->Def.Nsite)*/
  else {
#pragma omp parallel reduction(+:dam_pr) default(none) shared(tmp_v0, tmp_v1) \
  firstprivate(i_max, tmp_V, X, isite1) private(dmv, j, tmp_off)
    {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(isite1, j - 1, &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            tmp_v0[j] += dmv;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }/*if (CheckBit_Ajt(isite1, j - 1, &tmp_off) == TRUE)*/
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(isite1, j - 1, &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }/*if (CheckBit_Ajt(isite1, j - 1, &tmp_off) == TRUE)*/
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }/*End of parallel region*/
  }/*if (org_isite1 + 1 <= X->Def.Nsite)*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAis_Hubbard_MPI*/

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X_GC_child_CisAisCjtAjt_Hubbard_MPI()

double complex X_GC_child_CisAisCjtAjt_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite3,
		int	org_ispin3,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{jt}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 263 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), CheckBit_PairPE(), BindStruct::Def, CheckList::idim_max, BindStruct::Large, LargeList::mode, myrank, DefineList::Nsite, DefineList::Tpow, and TRUE.

Referenced by expec_cisajscktalt_HubbardGC(), mltplyHubbardGC(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  int iCheck;
  unsigned long int tmp_ispin1;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int tmp_off, j;
  double complex dmv;
//  MPI_Status statusMPI;

  iCheck=CheckBit_PairPE(org_isite1, org_ispin1, org_isite3, org_ispin3, X, (long unsigned int) myrank);
  if(iCheck != TRUE){
    return 0.0;
  }

#pragma omp parallel reduction(+:dam_pr) default(none) shared(org_isite1, org_ispin1, org_isite3, org_ispin3, tmp_v0, tmp_v1) \
  firstprivate(i_max, tmp_V, X) private(dmv, j, tmp_off, tmp_ispin1)
  {

    if (org_isite1 + 1 > X->Def.Nsite && org_isite3 + 1 > X->Def.Nsite) {
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          tmp_v0[j] += dmv;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          dmv = tmp_v1[j] * tmp_V;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (!(X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }/*if (org_isite1 + 1 > X->Def.Nsite && org_isite3 + 1 > X->Def.Nsite)*/
    else if (org_isite1 + 1 > X->Def.Nsite || org_isite3 + 1 > X->Def.Nsite) {
      if (org_isite1 > org_isite3) tmp_ispin1 = X->Def.Tpow[2 * org_isite3 + org_ispin3];
      else                         tmp_ispin1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
      
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) { // for multply
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(tmp_ispin1, j - 1, &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            tmp_v0[j] += dmv;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp for
        for (j = 1; j <= i_max; j++) {
          if (CheckBit_Ajt(tmp_ispin1, j - 1, &tmp_off) == TRUE) {
            dmv = tmp_v1[j] * tmp_V;
            dam_pr += conj(tmp_v1[j]) * dmv;
          }
        }/*for (j = 1; j <= i_max; j++)*/
      }/*if (!(X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }
  }/*End of parallel region*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAisCjtAjt_Hubbard_MPI*/

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X_GC_child_CisAisCjtAku_Hubbard_MPI()

double complex X_GC_child_CisAisCjtAku_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite3,
		int	org_ispin3,
		int	org_isite4,
		int	org_ispin4,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{is} c_{jt}^\dagger c_{ku}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	org_isite4	Site 4
[in]	org_ispin4	Spin 4
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 514 of file mltplyMPIHubbardCore.c.

References X_GC_child_CisAjtCkuAku_Hubbard_MPI().

Referenced by expec_cisajscktalt_HubbardGC(), mltplyHubbardGC(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0;
  dam_pr = X_GC_child_CisAjtCkuAku_Hubbard_MPI(
    org_isite4, org_ispin4, org_isite3, org_ispin3,
    org_isite1, org_ispin1, conj(tmp_V), X, tmp_v0, tmp_v1);
  return conj(dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAisCjtAku_Hubbard_MPI*/

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X_GC_child_CisAjt_Hubbard_MPI()

double complex X_GC_child_CisAjt_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite2,
		int	org_ispin2,
		double complex	tmp_trans,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{jt}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite2	Site 2
[in]	org_ispin2	Spin 2
[in]	tmp_trans	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 795 of file mltplyMPIHubbardCore.c.

References BindStruct::Def, exitMPI(), DefineList::Nsite, X_GC_child_general_hopp_MPIdouble(), and X_GC_child_general_hopp_MPIsingle().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
//  MPI_Status statusMPI;

  if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite) {
    dam_pr = X_GC_child_general_hopp_MPIdouble(org_isite1, org_ispin1, org_isite2, org_ispin2, tmp_trans, X, tmp_v0, tmp_v1);
  }
  else if (org_isite1 + 1 > X->Def.Nsite || org_isite2 + 1 > X->Def.Nsite) {
    dam_pr = X_GC_child_general_hopp_MPIsingle(org_isite1, org_ispin1, org_isite2, org_ispin2, tmp_trans, X, tmp_v0, tmp_v1);
  }
  else {
    //error message will be added.
    exitMPI(-1);
  }
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAjt_Hubbard_MPI*/

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X_GC_child_CisAjtCkuAku_Hubbard_MPI()

double complex X_GC_child_CisAjtCkuAku_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite2,
		int	org_ispin2,
		int	org_isite3,
		int	org_ispin3,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{ku}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite2	Site 2
[in]	org_ispin2	Spin 2
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 343 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_Ajt(), CheckBit_InterAllPE(), BindStruct::Def, exitMPI(), FALSE, GC_CisAjt(), GetSgnInterAll(), CheckList::idim_max, BindStruct::Large, LargeList::mode, myrank, DefineList::Nsite, DefineList::OrgTpow, SgnBit(), DefineList::Tpow, TRUE, and v1buf.

Referenced by expec_cisajscktalt_HubbardGC(), mltplyHubbardGC(), X_GC_child_CisAisCjtAku_Hubbard_MPI(), and X_GC_child_CisAjtCkuAlv_Hubbard_MPI().

  {
#ifdef MPI
  double complex dam_pr = 0.0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int idim_max_buf;
  int iCheck, ierr, Fsgn;
  unsigned long int isite1, isite2, isite3;
  unsigned long int tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4;
  unsigned long int j, Asum, Adiff;
  double complex dmv;
  unsigned long int origin, tmp_off;
  unsigned long int org_rankbit;
  MPI_Status statusMPI;

  iCheck = CheckBit_InterAllPE(org_isite1, org_ispin1, org_isite2, org_ispin2, org_isite3, org_ispin3, org_isite3, org_ispin3, X, (long unsigned int) myrank, &origin);
  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  isite2 = X->Def.Tpow[2 * org_isite2 + org_ispin2];
  isite3 = X->Def.Tpow[2 * org_isite3 + org_ispin3];

  if (iCheck == TRUE) {
    tmp_isite1 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
    tmp_isite2 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
    tmp_isite3 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    tmp_isite4 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    Asum = tmp_isite1 + tmp_isite2;
    if (tmp_isite2 > tmp_isite1) Adiff = tmp_isite2 - tmp_isite1 * 2;
    else Adiff = tmp_isite1 - tmp_isite2 * 2;
  }
  else {
    iCheck = CheckBit_InterAllPE(org_isite3, org_ispin3, org_isite3, org_ispin3, org_isite2, org_ispin2, org_isite1, org_ispin1, X, (long unsigned int) myrank, &origin);
    if (iCheck == TRUE) {
      tmp_V = conj(tmp_V);
      tmp_isite4 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
      tmp_isite3 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
      tmp_isite2 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      tmp_isite1 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      Asum = tmp_isite3 + tmp_isite4;
      if (tmp_isite4 > tmp_isite3) Adiff = tmp_isite4 - tmp_isite3 * 2;
      else Adiff = tmp_isite3 - tmp_isite4 * 2;
      if (X->Large.mode == M_CORR || X->Large.mode == M_CALCSPEC) {
        tmp_V = 0;
      }
    }
    else {
      return 0.0;
    }
  }

  if (myrank == origin) {// only k is in PE

    if (CheckBit_Ajt(isite3, myrank, &tmp_off) == FALSE) return 0.0;

#pragma omp parallel default(none) reduction(+:dam_pr) \
firstprivate(i_max,X,Asum,Adiff,isite1,isite2, tmp_V) private(j,tmp_off) shared(tmp_v0, tmp_v1)
    {
#pragma omp for
      for (j = 1; j <= i_max; j++) 
        dam_pr += GC_CisAjt(j, tmp_v0, tmp_v1, X, isite2, isite1, Asum, Adiff, tmp_V, &tmp_off);

      if (X->Large.mode != M_CORR) {
#pragma omp for
        for (j = 1; j <= i_max; j++) 
          dam_pr += GC_CisAjt(j, tmp_v0, tmp_v1, X, isite1, isite2, Asum, Adiff, tmp_V, &tmp_off);
      }/*if (X->Large.mode != M_CORR)*/
    }/*End of paralle region*/
    return dam_pr;
  }//myrank =origin
  else {
    ierr = MPI_Sendrecv(&X->Check.idim_max, 1, MPI_UNSIGNED_LONG, origin, 0,
                        &idim_max_buf,      1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);
    ierr = MPI_Sendrecv(tmp_v1, X->Check.idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        v1buf,       idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

#pragma omp parallel default(none) reduction(+:dam_pr) private(j, dmv, tmp_off, Fsgn, org_rankbit, Adiff) \
shared(v1buf, tmp_v1, tmp_v0, myrank, origin, isite3, org_isite3, isite1, isite2, org_isite2, org_isite1) \
firstprivate(idim_max_buf, tmp_V, X, tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4)
    {
      if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite) {
        if (isite2 > isite1) Adiff = isite2 - isite1 * 2;
        else Adiff = isite1 - isite2 * 2;
        SgnBit(((long unsigned int) myrank & Adiff), &Fsgn);
        tmp_V *= Fsgn;

        if (org_isite3 + 1 > X->Def.Nsite) {
          if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              dmv = tmp_V * v1buf[j];
              tmp_v0[j] += dmv;
              dam_pr += conj(tmp_v1[j]) * dmv;
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
          else {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              dmv = tmp_V * v1buf[j];
              dam_pr += conj(tmp_v1[j]) * dmv;
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
        }
        else { //org_isite3 <= X->Def.Nsite
          if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              if (CheckBit_Ajt(isite3, j - 1, &tmp_off) == TRUE) {
                dmv = tmp_V * v1buf[j];
                tmp_v0[j] += dmv;
                dam_pr += conj(tmp_v1[j]) * dmv;
              }
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
          else {
#pragma omp for
            for (j = 1; j <= idim_max_buf; j++) {
              if (CheckBit_Ajt(isite3, j - 1, &tmp_off) == TRUE) {
                dmv = tmp_V * v1buf[j];
                dam_pr += conj(tmp_v1[j]) * dmv;
              }
            }/*for (j = 1; j <= idim_max_buf; j++)*/
          }
        }
      }/*if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite)*/
      else {
        org_rankbit = X->Def.OrgTpow[2 * X->Def.Nsite] * origin;
        if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X, (j - 1) + org_rankbit, &tmp_off) == TRUE) {
              dmv = tmp_V * v1buf[j] * Fsgn;
              tmp_v0[tmp_off + 1] += dmv;
              dam_pr += conj(tmp_v1[tmp_off + 1]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
        else {
#pragma omp for
          for (j = 1; j <= idim_max_buf; j++) {
            if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X, (j - 1) + org_rankbit, &tmp_off) == TRUE) {
              dmv = tmp_V * v1buf[j] * Fsgn;
              dam_pr += conj(tmp_v1[tmp_off + 1]) * dmv;
            }
          }/*for (j = 1; j <= idim_max_buf; j++)*/
        }
      }
    }/*End of parallel region*/
  }/*myrank != origin*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAjtCkuAku_Hubbard_MPI*/

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X_GC_child_CisAjtCkuAlv_Hubbard_MPI()

double complex X_GC_child_CisAjtCkuAlv_Hubbard_MPI	(	int	org_isite1,
		int	org_ispin1,
		int	org_isite2,
		int	org_ispin2,
		int	org_isite3,
		int	org_ispin3,
		int	org_isite4,
		int	org_ispin4,
		double complex	tmp_V,
		struct BindStruct *	X,
		double complex *	tmp_v0,
		double complex *	tmp_v1
	)

Compute \(c_{is}^\dagger c_{jt} c_{ku}^\dagger c_{lv}\) term of grandcanonical Hubbard system.

Returns

Fragment of \(\langle v_1 | H_{\rm this} | v_1 \rangle\)

Parameters

[in]	org_isite1	Site 1
[in]	org_ispin1	Spin 1
[in]	org_isite2	Site 2
[in]	org_ispin2	Spin 2
[in]	org_isite3	Site 3
[in]	org_ispin3	Spin 3
[in]	org_isite4	Site 4
[in]	org_ispin4	Spin 4
[in]	tmp_V	Coupling constant
[in,out]	X
[in,out]	tmp_v0	Resulting wavefunction
[in,out]	tmp_v1	Initial wavefunction

Definition at line 541 of file mltplyMPIHubbardCore.c.

References BindStruct::Check, CheckBit_InterAllPE(), BindStruct::Def, exitMPI(), FALSE, GC_CisAjt(), GetSgnInterAll(), CheckList::idim_max, BindStruct::Large, LargeList::mode, myrank, DefineList::Nsite, DefineList::OrgTpow, DefineList::Tpow, TRUE, v1buf, X_GC_child_CisAis_Hubbard_MPI(), X_GC_child_CisAisCjtAjt_Hubbard_MPI(), X_GC_child_CisAisCjtAku_Hubbard_MPI(), X_GC_child_CisAjtCkuAku_Hubbard_MPI(), and X_GC_CisAjt().

Referenced by expec_cisajscktalt_HubbardGC(), and mltplyHubbardGC().

  {
#ifdef MPI
  double complex dam_pr = 0;
  unsigned long int i_max = X->Check.idim_max;
  unsigned long int idim_max_buf;
  int iCheck, ierr, Fsgn;
  unsigned long int isite1, isite2, isite3, isite4;
  unsigned long int tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4;
  unsigned long int j, Adiff, Bdiff;
  double complex dmv;
  unsigned long int origin, tmp_off, tmp_off2;
  unsigned long int org_rankbit;
  int iFlgHermite = FALSE;
  MPI_Status statusMPI;

  iCheck = CheckBit_InterAllPE(org_isite1, org_ispin1, org_isite2, org_ispin2,
                               org_isite3, org_ispin3, org_isite4, org_ispin4,
                               X, (long unsigned int) myrank, &origin);
  isite1 = X->Def.Tpow[2 * org_isite1 + org_ispin1];
  isite2 = X->Def.Tpow[2 * org_isite2 + org_ispin2];
  isite3 = X->Def.Tpow[2 * org_isite3 + org_ispin3];
  isite4 = X->Def.Tpow[2 * org_isite4 + org_ispin4];

  if (iCheck == TRUE) {
    tmp_isite1 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
    tmp_isite2 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
    tmp_isite3 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
    tmp_isite4 = X->Def.OrgTpow[2 * org_isite4 + org_ispin4];
  }
  else {
    iCheck = CheckBit_InterAllPE(org_isite4, org_ispin4, org_isite3, org_ispin3,
                                 org_isite2, org_ispin2, org_isite1, org_ispin1,
                                 X, (long unsigned int) myrank, &origin);
    if (iCheck == TRUE) {
      tmp_V = conj(tmp_V);
      tmp_isite4 = X->Def.OrgTpow[2 * org_isite1 + org_ispin1];
      tmp_isite3 = X->Def.OrgTpow[2 * org_isite2 + org_ispin2];
      tmp_isite2 = X->Def.OrgTpow[2 * org_isite3 + org_ispin3];
      tmp_isite1 = X->Def.OrgTpow[2 * org_isite4 + org_ispin4];
      iFlgHermite = TRUE;
      if (X->Large.mode == M_CORR || X->Large.mode == M_CALCSPEC) {
        tmp_V = 0;
      }
    }
    else {
      return 0.0;
    }
  }

  if (myrank == origin) {
    if (isite1 == isite4 && isite2 == isite3) { // CisAjvCjvAis =Cis(1-njv)Ais=nis-nisnjv
            //calc nis
      dam_pr = X_GC_child_CisAis_Hubbard_MPI(org_isite1, org_ispin1, tmp_V, X, tmp_v0, tmp_v1);
      //calc -nisniv
      dam_pr -= X_GC_child_CisAisCjtAjt_Hubbard_MPI(org_isite1, org_ispin1, org_isite3, org_ispin3, tmp_V, X, tmp_v0, tmp_v1);
    }/*if (isite1 == isite4 && isite2 == isite3)*/
    else if (isite2 == isite3) { // CisAjvCjvAku= Cis(1-njv)Aku=-CisAkunjv+CisAku: j is in PE
            //calc CisAku
      if (isite4 > isite1) Adiff = isite4 - isite1 * 2;
      else Adiff = isite1 - isite4 * 2;

#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_off) \
firstprivate(i_max, tmp_V, X, isite1, isite4, Adiff) shared(tmp_v1, tmp_v0)
      for (j = 1; j <= i_max; j++) 
        dam_pr += GC_CisAjt(j - 1, tmp_v0, tmp_v1, X, isite1, isite4, (isite1 + isite4), Adiff, tmp_V, &tmp_off);
      
      //calc -CisAku njv
      dam_pr -= X_GC_child_CisAjtCkuAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite4, org_ispin4, 
                                                    org_isite2, org_ispin2, tmp_V, X, tmp_v0, tmp_v1);
      if (X->Large.mode != M_CORR) { //for hermite
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_off) \
firstprivate(i_max, tmp_V, X, isite1, isite4, Adiff) shared(tmp_v1, tmp_v0)
        for (j = 1; j <= i_max; j++) 
          dam_pr += GC_CisAjt(j - 1, tmp_v0, tmp_v1, X, isite4, isite1, (isite1 + isite4), Adiff, tmp_V, &tmp_off);
        
        //calc -njvCkuAis
        dam_pr -= X_GC_child_CisAisCjtAku_Hubbard_MPI(org_isite2, org_ispin2, org_isite4, org_ispin4,
                                                      org_isite1, org_ispin1, tmp_V, X, tmp_v0, tmp_v1);
      }/*if (X->Large.mode != M_CORR)*/
    }/*if (isite2 == isite3)*/
    else {// CisAjtCkuAis = -CisAisCkuAjt: i is in PE
      dam_pr = -X_GC_child_CisAisCjtAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite3, org_ispin3,
                                                    org_isite2, org_ispin2, tmp_V, X, tmp_v0, tmp_v1);
      if (X->Large.mode != M_CORR) { //for hermite
        dam_pr += -X_GC_child_CisAisCjtAku_Hubbard_MPI(org_isite1, org_ispin1, org_isite2, org_ispin2,
                                                       org_isite3, org_ispin3, tmp_V, X, tmp_v0, tmp_v1);
      }/*if (X->Large.mode != M_CORR)*/
    }/*if (isite2 != isite3)*/
    return dam_pr;
  }//myrank =origin
  else {
    ierr = MPI_Sendrecv(&X->Check.idim_max, 1, MPI_UNSIGNED_LONG, origin, 0,
                        &idim_max_buf,      1, MPI_UNSIGNED_LONG, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);
    ierr = MPI_Sendrecv(tmp_v1, X->Check.idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        v1buf,       idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                        MPI_COMM_WORLD, &statusMPI);
    if (ierr != 0) exitMPI(-1);

    if (org_isite1 + 1 > X->Def.Nsite && org_isite2 + 1 > X->Def.Nsite
     && org_isite3 + 1 > X->Def.Nsite && org_isite4 + 1 > X->Def.Nsite) {

      if (isite2 > isite1) Adiff = isite2 - isite1 * 2;
      else Adiff = isite1 - isite2 * 2;
      if (isite4 > isite3) Bdiff = isite4 - isite3 * 2;
      else Bdiff = isite3 - isite4 * 2;

      if (iFlgHermite == FALSE) {
        Fsgn = X_GC_CisAjt((long unsigned int) myrank, X, isite2, isite1, (isite1 + isite2), Adiff, &tmp_off2);
        Fsgn *= X_GC_CisAjt(tmp_off2, X, isite4, isite3, (isite3 + isite4), Bdiff, &tmp_off);
        tmp_V *= Fsgn;
      }/*if (iFlgHermite == FALSE)*/
      else {
        Fsgn = X_GC_CisAjt((long unsigned int) myrank, X, isite3, isite4, (isite3 + isite4), Bdiff, &tmp_off2);
        Fsgn *= X_GC_CisAjt(tmp_off2, X, isite1, isite2, (isite1 + isite2), Adiff, &tmp_off);
        tmp_V *= Fsgn;
      }/*if (iFlgHermite == TRUE)*/
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv) firstprivate(idim_max_buf, tmp_V, X) shared(v1buf, tmp_v1, tmp_v0)
        for (j = 1; j <= idim_max_buf; j++) {
          dmv = tmp_V * v1buf[j];
          tmp_v0[j] += dmv;
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= idim_max_buf; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv) firstprivate(idim_max_buf, tmp_V, X) shared(v1buf, tmp_v1, tmp_v0)
        for (j = 1; j <= idim_max_buf; j++) {
          dmv = tmp_V * v1buf[j];
          dam_pr += conj(tmp_v1[j]) * dmv;
        }/*for (j = 1; j <= idim_max_buf; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }
    else {
      org_rankbit = X->Def.OrgTpow[2 * X->Def.Nsite] * origin;
      if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv, tmp_off, Fsgn) firstprivate(idim_max_buf, tmp_V, X, tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4, org_rankbit) shared(v1buf, tmp_v1, tmp_v0)
        for (j = 1; j <= idim_max_buf; j++) {
          if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X, (j - 1) + org_rankbit, &tmp_off) == TRUE) {
            dmv = tmp_V * v1buf[j] * Fsgn;
            tmp_v0[tmp_off + 1] += dmv;
            dam_pr += conj(tmp_v1[tmp_off + 1]) * dmv;
          }
        }/*for (j = 1; j <= idim_max_buf; j++)*/
      }/*if (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC)*/
      else {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv, tmp_off, Fsgn) firstprivate(idim_max_buf, tmp_V, X, tmp_isite1, tmp_isite2, tmp_isite3, tmp_isite4, org_rankbit) shared(v1buf, tmp_v1, tmp_v0)
        for (j = 1; j <= idim_max_buf; j++) {
          if (GetSgnInterAll(tmp_isite4, tmp_isite3, tmp_isite2, tmp_isite1, &Fsgn, X, (j - 1) + org_rankbit, &tmp_off) == TRUE) {
            dmv = tmp_V * v1buf[j] * Fsgn;
            dam_pr += conj(tmp_v1[tmp_off + 1]) * dmv;
          }
        }/*for (j = 1; j <= idim_max_buf; j++)*/
      }/*if (! (X->Large.mode == M_MLTPLY || X->Large.mode == M_CALCSPEC))*/
    }
  }/*myrank != origin*/
  return dam_pr;
#else
  return 0.0;
#endif
}/*double complex X_GC_child_CisAjtCkuAlv_Hubbard_MPI*/

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X_GC_Cis_MPI()

double complex X_GC_Cis_MPI	(	int	org_isite,
		int	org_ispin,
		double complex	tmp_trans,
		double complex *	tmp_v0,
		double complex *	tmp_v1,
		unsigned long int	idim_max,
		double complex *	tmp_v1buf,
		unsigned long int *	Tpow
	)

Single creation/annihilation operator in the inter process region for HubbardGC.

Author

Mitsuaki Kawamura (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Youhei Yamaji (The University of Tokyo)

Parameters

[in]	org_isite	Site i
[in]	org_ispin	Spin s
[in]	tmp_trans	Coupling constant//!<[in]
[out]	tmp_v0	Result v0 += H v1*/,
[in]	tmp_v1	v0 += H v1*/,
[in]	idim_max	Similar to CheckList::idim_max
[in]	tmp_v1buf	buffer for wavefunction
[in]	Tpow	Similar to DefineList::Tpow

Definition at line 1412 of file mltplyMPIHubbardCore.c.

References exitMPI(), myrank, and SgnBit().

Referenced by GetSingleExcitedStateHubbardGC().

  {
#ifdef MPI
  int mask2, state2, ierr, origin, bit2diff, Fsgn;
  unsigned long int idim_max_buf, j;
  MPI_Status statusMPI;
  double complex trans, dmv, dam_pr;

  // org_isite >= Nsite
  mask2 = (int)Tpow[2 * org_isite + org_ispin];

  origin = myrank ^ mask2; // XOR
  state2 = origin & mask2;

  //if state2 = mask2, the state (org_isite, org_ispin) is not occupied in myrank
  //origin: if the state (org_isite, org_ispin) is occupied in myrank, the state is not occupied in origin.

  bit2diff = myrank - ((2 * mask2 - 1) & myrank);

  //SgnBit((unsigned long int) (origin & bit2diff), &Fsgn); // Fermion sign
  SgnBit((unsigned long int) (bit2diff), &Fsgn); // Fermion sign

  ierr = MPI_Sendrecv(&idim_max,     1, MPI_UNSIGNED_LONG, origin, 0,
                      &idim_max_buf, 1, MPI_UNSIGNED_LONG, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  ierr = MPI_Sendrecv(tmp_v1,        idim_max + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      tmp_v1buf, idim_max_buf + 1, MPI_DOUBLE_COMPLEX, origin, 0,
                      MPI_COMM_WORLD, &statusMPI);
  if (ierr != 0) exitMPI(-1);

  if (state2 == mask2) {
    trans = 0;
  }
  else if (state2 == 0) {
    trans = (double)Fsgn * tmp_trans;
  }
  else return 0;

  dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv) \
  firstprivate(idim_max_buf, trans) shared(tmp_v1buf, tmp_v1, tmp_v0)
  for (j = 0; j < idim_max_buf; j++) {
    dmv = trans * tmp_v1buf[j + 1];
    tmp_v0[j + 1] += dmv;
    dam_pr += conj(tmp_v1[j + 1]) * dmv;
  }
  return (dam_pr);
#else
  return 0.0;
#endif
}/*double complex X_GC_Cis_MPI*/

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