PairExSpin.c File Reference

#include "PairExSpin.h"
#include "bitcalc.h"
#include "wrapperMPI.h"
#include "mltplyMPISpinCore.h"
#include "mltplySpinCore.h"
#include "mfmemory.h"

Go to the source code of this file.

Functions
int	GetPairExcitedStateSpinGC (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
	Calculation of pair excited state for Spin Grand canonical system. More...
int	GetPairExcitedStateHalfSpinGC (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
int	GetPairExcitedStateGeneralSpinGC (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
int	GetPairExcitedStateSpin (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
int	GetPairExcitedStateHalfSpin (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)
int	GetPairExcitedStateGeneralSpin (struct BindStruct *X, double complex *tmp_v0, double complex *tmp_v1)

Function Documentation

GetPairExcitedStateGeneralSpin()

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

Calculation of pair excited state for general Spin canonical system

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 350 of file PairExSpin.c.

References BitCheckGeneral(), ConvertToList1GeneralSpin(), FALSE, GetOffCompGeneralSpin(), list_1, list_1_org, list_1buf_org, MaxMPI_li(), myrank, stdoutMPI, TRUE, X, and X_child_CisAit_GeneralSpin_MPIdouble().

Referenced by GetPairExcitedStateSpin().

{
    long unsigned int i,j, idim_maxMPI;
    long unsigned int org_isite1,org_isite2,org_sigma1,org_sigma2;
    long unsigned int tmp_off=0;
    long unsigned int off=0;

    double complex tmp_trans=0;
    long int i_max;
    int tmp_sgn, num1;
    i_max = X->Check.idim_maxOrg;

    double complex *tmp_v1bufOrg;
    //set size
#ifdef MPI
    idim_maxMPI = MaxMPI_li(X->Check.idim_maxOrg);
    c_malloc1(tmp_v1bufOrg, idim_maxMPI + 1);
#endif // MPI

    for(i=0;i<X->Def.NPairExcitationOperator;i++){
        org_isite1 = X->Def.PairExcitationOperator[i][0]+1;
        org_isite2 = X->Def.PairExcitationOperator[i][2]+1;
        org_sigma1 = X->Def.PairExcitationOperator[i][1];
        org_sigma2 = X->Def.PairExcitationOperator[i][3];
        tmp_trans = X->Def.ParaPairExcitationOperator[i];
        if(org_isite1 == org_isite2){
            if(org_isite1 >X->Def.Nsite){
                if(org_sigma1==org_sigma2){
                    // longitudinal magnetic field
                    num1 = BitCheckGeneral((unsigned long int)myrank,
                                           org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
                    if(X->Def.PairExcitationOperator[i][4]==0) {
                        if (num1 != 0) {
#pragma omp parallel for default(none) private(j) firstprivate(i_max, tmp_trans) shared(tmp_v0,tmp_v1)
                            for (j = 1; j <= i_max; j++) {
                                tmp_v0[j] += tmp_trans * tmp_v1[j];
                            }
                        }
                    }
                    else {
                        if (num1 == 0) {
#pragma omp parallel for default(none) private(j) firstprivate(i_max, tmp_trans) shared(tmp_v0,tmp_v1)
                            for (j = 1; j <= i_max; j++) {
                                tmp_v0[j] += -tmp_trans * tmp_v1[j];
                            }
                        }
                    }
                }//org_sigma1=org_sigma2
                else{//org_sigma1 != org_sigma2
                    X_child_CisAit_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, tmp_trans, X, tmp_v0, tmp_v1, tmp_v1bufOrg, i_max, list_1_org, list_1buf_org, X->Large.ihfbit);
                }
            }
            else {//org_isite1 <= X->Def.Nsite
                if(org_sigma1==org_sigma2) {
                    // longitudinal magnetic field
                    if (X->Def.PairExcitationOperator[i][4] == 0) {
#pragma omp parallel for default(none) private(j, num1) firstprivate(i_max, org_isite1, org_sigma1, X, tmp_trans) shared(tmp_v0,tmp_v1, list_1)
                        for (j = 1; j <= i_max; j++) {
                            num1 = BitCheckGeneral(list_1[j], org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
                            tmp_v0[j] += tmp_trans * tmp_v1[j] * num1;
                        }
                    }else {
#pragma omp parallel for default(none) private(j, num1) firstprivate(i_max, org_isite1, org_sigma1, X, tmp_trans) shared(tmp_v0,tmp_v1, list_1)
                        for (j = 1; j <= i_max; j++) {
                            num1 = BitCheckGeneral(list_1[j], org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
                            tmp_v0[j] += -tmp_trans * tmp_v1[j] * (1.0 - num1);
                        }
                    }
                }//org_sigma1=org_sigma2
                else{//org_sigma1 != org_sigma2
#pragma omp parallel for default(none) private(j, tmp_sgn,tmp_off)      \
  firstprivate(i_max, org_isite1, org_sigma1, org_sigma2, X, off, tmp_trans, myrank) \
  shared(tmp_v0, tmp_v1, list_1_org, list_1)
                    for (j = 1; j <= i_max; j++) {
                        tmp_sgn = GetOffCompGeneralSpin(list_1_org[j], org_isite1, org_sigma2, org_sigma1, &off, X->Def.SiteToBit, X->Def.Tpow);
                        if(tmp_sgn !=FALSE){
                            ConvertToList1GeneralSpin(off, X->Large.ihfbit, &tmp_off);
#ifdef _DEBUG
                            printf("rank=%d, org=%ld, tmp_off=%ld, list_1=%ld, ihfbit=%ld\n",myrank, list_1_org[j], off, list_1[tmp_off], X->Large.ihfbit);
#endif
                            tmp_v0[tmp_off] += tmp_v1[j]*tmp_trans;
                        }
                    }

                }
            }
        }else{
            fprintf(stdoutMPI, "ERROR: hopping is not allowed in localized spin system\n");
            return FALSE;
        }//org_isite1 != org_isite2
    }

    return TRUE;
}

GetPairExcitedStateGeneralSpinGC()

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

Calculation of pair excited state for general Spin Grand canonical system

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 144 of file PairExSpin.c.

References BitCheckGeneral(), FALSE, GetOffCompGeneralSpin(), stdoutMPI, TRUE, X, X_GC_child_AisCis_GeneralSpin_MPIdouble(), X_GC_child_CisAis_GeneralSpin_MPIdouble(), and X_GC_child_CisAit_GeneralSpin_MPIdouble().

Referenced by GetPairExcitedStateSpinGC().

  {
    long unsigned int i, j;
    int num1;
    long unsigned int org_isite1, org_isite2, org_sigma1, org_sigma2;
    long unsigned int tmp_off = 0;

    double complex tmp_trans = 0;
    long int i_max;
    i_max = X->Check.idim_maxOrg;

    for(i=0;i<X->Def.NPairExcitationOperator;i++){
        org_isite1 = X->Def.PairExcitationOperator[i][0]+1;
        org_isite2 = X->Def.PairExcitationOperator[i][2]+1;
        org_sigma1 = X->Def.PairExcitationOperator[i][1];
        org_sigma2 = X->Def.PairExcitationOperator[i][3];
        tmp_trans = X->Def.ParaPairExcitationOperator[i];
        if(org_isite1 == org_isite2){
            if(org_isite1 > X->Def.Nsite){
                if(org_sigma1==org_sigma2){
                    if(X->Def.PairExcitationOperator[i][4]==0) {
                        // longitudinal magnetic field
                        X_GC_child_CisAis_GeneralSpin_MPIdouble(org_isite1 - 1, org_sigma1, tmp_trans, X, tmp_v0, tmp_v1);
                    }
                    else{
                        X_GC_child_AisCis_GeneralSpin_MPIdouble(org_isite1 - 1, org_sigma1, -tmp_trans, X, tmp_v0, tmp_v1);
                    }
                }else{
                    // transverse magnetic field
                    X_GC_child_CisAit_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, tmp_trans, X, tmp_v0, tmp_v1);
                }
            }
            else{//org_isite1 <= X->Def.Nsite
                if(org_sigma1==org_sigma2){
                    if(X->Def.PairExcitationOperator[i][4]==0) {
                        // longitudinal magnetic field
#pragma omp parallel for default(none) private(j, num1) firstprivate(i_max, org_isite1, org_sigma1, X, tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            num1 = BitCheckGeneral(j - 1, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
                            tmp_v0[j] += tmp_trans * tmp_v1[j] * num1;
                        }
                    }
                    else{
                        // longitudinal magnetic field
#pragma omp parallel for default(none) private(j, num1) firstprivate(i_max, org_isite1, org_sigma1, X, tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            num1 = BitCheckGeneral(j - 1, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
                            tmp_v0[j] += -tmp_trans * tmp_v1[j] * (1.0-num1);
                        }
                    }
                }else{
                    // transverse magnetic field
#pragma omp parallel for default(none) private(j, num1) firstprivate(i_max, org_isite1, org_sigma1, org_sigma2, X,tmp_off, tmp_trans) shared(tmp_v0, tmp_v1)
                    for(j=1;j<=i_max;j++){
                        num1 = GetOffCompGeneralSpin(j-1, org_isite1, org_sigma2, org_sigma1, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
                        if(num1 !=0){
                            tmp_v0[tmp_off+1]  +=  tmp_trans*tmp_v1[j]*num1;
                        }
                    }
                }
            }
        }else{
            fprintf(stdoutMPI, "ERROR: hopping is not allowed in localized spin system\n");
            return FALSE;
        }
    }
    return TRUE;
}

GetPairExcitedStateHalfSpin()

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

Calculation of pair excited state for Half Spin canonical system

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 251 of file PairExSpin.c.

References FALSE, list_1_org, list_1buf_org, list_2_1, list_2_2, MaxMPI_li(), myrank, stdoutMPI, TRUE, X, X_child_CisAit_spin_MPIdouble(), X_Spin_CisAis(), X_Spin_CisAit(), and X_SpinGC_CisAis().

Referenced by GetPairExcitedStateSpin().

{
    long unsigned int i,j, idim_maxMPI;
    long unsigned int isite1;
    long unsigned int org_isite1,org_isite2,org_sigma1,org_sigma2;
    long unsigned int tmp_off=0;

    double complex tmp_trans=0;
    long int i_max;
    int num1;
    long int ibit1;
    long unsigned int is1_up;

    i_max = X->Check.idim_maxOrg;

    double complex *tmp_v1bufOrg;
    //set size
#ifdef MPI
    idim_maxMPI = MaxMPI_li(X->Check.idim_maxOrg);
    c_malloc1(tmp_v1bufOrg, idim_maxMPI + 1);
#endif // MPI

    for (i = 0; i < X->Def.NPairExcitationOperator; i++) {
        org_isite1 = X->Def.PairExcitationOperator[i][0] + 1;
        org_isite2 = X->Def.PairExcitationOperator[i][2] + 1;
        org_sigma1 = X->Def.PairExcitationOperator[i][1];
        org_sigma2 = X->Def.PairExcitationOperator[i][3];
        tmp_trans = X->Def.ParaPairExcitationOperator[i];
        if (org_sigma1 == org_sigma2) {
            if (org_isite1 == org_isite2) {
                if (org_isite1 > X->Def.Nsite) {
                    is1_up = X->Def.Tpow[org_isite1 - 1];
                    ibit1 = X_SpinGC_CisAis((unsigned long int) myrank + 1, X, is1_up, org_sigma1);
                    if (X->Def.PairExcitationOperator[i][4] == 0) {
                        if (ibit1 != 0) {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1)   \
  firstprivate(i_max, tmp_trans) private(j)
                            for (j = 1; j <= i_max; j++) tmp_v0[j] += tmp_trans * tmp_v1[j];
                        }
                    } else {
                        if (ibit1 == 0) {
#pragma omp parallel for default(none) shared(tmp_v0, tmp_v1)   \
  firstprivate(i_max, tmp_trans) private(j)
                            for (j = 1; j <= i_max; j++) tmp_v0[j] += tmp_trans * tmp_v1[j];
                        }
                    }
                }// org_isite1 > X->Def.Nsite
                else {
                    isite1 = X->Def.Tpow[org_isite1 - 1];
                    if (org_isite1 == org_isite2 && org_sigma1 == org_sigma2 &&
                        X->Def.PairExcitationOperator[i][4] == 1) {
#pragma omp parallel for default(none) private(j) firstprivate(i_max, isite1, org_sigma1, X, tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            tmp_v0[j] += (1.0 - X_Spin_CisAis(j, X, isite1, org_sigma1)) * tmp_v1[j] * (-tmp_trans);
                        }
                    } else {
#pragma omp parallel for default(none) private(j) firstprivate(i_max, isite1, org_sigma1, X, tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            tmp_v0[j] += X_Spin_CisAis(j, X, isite1, org_sigma1) * tmp_v1[j] * tmp_trans;
                        }
                    }
                }
            } else {
                fprintf(stdoutMPI, "Error: isite1 must be equal to isite2 for Spin system. \n");
                return FALSE;
            }
        } else { //org_sigma1 != org_sigma2             // for the canonical case
            if (org_isite1 > X->Def.Nsite) {//For MPI
                X_child_CisAit_spin_MPIdouble(org_isite1-1, org_sigma2, tmp_trans, X, tmp_v0, tmp_v1, tmp_v1bufOrg, i_max, X->Def.Tpow,list_1_org, list_1buf_org, list_2_1, list_2_2, X->Large.irght, X->Large.ilft,X->Large.ihfbit);

            } else {
                isite1 = X->Def.Tpow[org_isite1 - 1];
#pragma omp parallel for default(none) private(j, tmp_off, num1)        \
  firstprivate(i_max, isite1, org_sigma2, X, tmp_trans, list_1_org, list_1, list_2_1, list_2_2) shared(tmp_v0, tmp_v1)
                for (j = 1; j <= i_max; j++) {
                    num1=X_Spin_CisAit(j, X, isite1, org_sigma2, list_1_org, list_2_1, list_2_2, &tmp_off);
                    if (num1 != 0) tmp_v0[tmp_off] +=  tmp_v1[j] * tmp_trans*(double)num1;
                }
            }
        }
    }
    return TRUE;
}

GetPairExcitedStateHalfSpinGC()

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

Calculation of pair excited state for Half Spin Grand canonical system

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 62 of file PairExSpin.c.

References FALSE, stdoutMPI, TRUE, X, X_GC_child_AisCis_spin_MPIdouble(), X_GC_child_CisAis_spin_MPIdouble(), X_GC_child_CisAit_spin_MPIdouble(), X_SpinGC_CisAis(), and X_SpinGC_CisAit().

Referenced by GetPairExcitedStateSpinGC().

 {
    long unsigned int i,j;
    long unsigned int isite1;
    long unsigned int org_isite1,org_isite2,org_sigma1,org_sigma2;
    long unsigned int tmp_off=0;

    double complex tmp_trans=0;
    long int i_max;
    int tmp_sgn;
    i_max = X->Check.idim_maxOrg;

    for(i=0;i<X->Def.NPairExcitationOperator;i++){
        org_isite1 = X->Def.PairExcitationOperator[i][0]+1;
        org_isite2 = X->Def.PairExcitationOperator[i][2]+1;
        org_sigma1 = X->Def.PairExcitationOperator[i][1];
        org_sigma2 = X->Def.PairExcitationOperator[i][3];
        tmp_trans = X->Def.ParaPairExcitationOperator[i];
        if(org_isite1 == org_isite2){
            if(org_isite1 > X->Def.Nsite){
                if(org_sigma1==org_sigma2){  // longitudinal magnetic field
                    if(X->Def.PairExcitationOperator[i][4]==0) {
                        X_GC_child_CisAis_spin_MPIdouble(org_isite1 - 1, org_sigma1, tmp_trans, X, tmp_v0, tmp_v1);
                    }
                    else{
                        X_GC_child_AisCis_spin_MPIdouble(org_isite1 - 1, org_sigma1, -tmp_trans, X, tmp_v0, tmp_v1);
                    }
                }
                else{  // transverse magnetic field
                    //fprintf(stdoutMPI, "Debug: test, org_isite1=%d, org_sigma1=%d, orgsima_2=%d\n", org_isite1, org_sigma1, org_sigma2);
                    X_GC_child_CisAit_spin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, tmp_trans, X, tmp_v0, tmp_v1);
                }
            }else{
                isite1 = X->Def.Tpow[org_isite1-1];
                if(org_sigma1==org_sigma2) {
                    if (X->Def.PairExcitationOperator[i][4] == 1) {
                        // longitudinal magnetic field
#pragma omp parallel for default(none) private(j, tmp_sgn) firstprivate(i_max, isite1, org_sigma1, X,tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            tmp_v0[j] += (1.0-X_SpinGC_CisAis(j, X, isite1, org_sigma1)) * tmp_v1[j] * (-tmp_trans);
                        }
                    }
                    else {
                        // longitudinal magnetic field
#pragma omp parallel for default(none) private(j, tmp_sgn) firstprivate(i_max, isite1, org_sigma1, X,tmp_trans) shared(tmp_v0, tmp_v1)
                        for (j = 1; j <= i_max; j++) {
                            tmp_v0[j] += X_SpinGC_CisAis(j, X, isite1, org_sigma1) * tmp_v1[j] * tmp_trans;
                        }
                    }
                }else{
                    // transverse magnetic field
                    // fprintf(stdoutMPI, "Debug: isite1=%d, org_sigma2=%d\n", isite1, org_sigma2);
#pragma omp parallel for default(none) private(j, tmp_sgn, tmp_off) firstprivate(i_max, isite1, org_sigma2, X, tmp_trans) shared(tmp_v0, tmp_v1)
                    for(j=1;j<=i_max;j++){
                        tmp_sgn  =  X_SpinGC_CisAit(j,X, isite1,org_sigma2,&tmp_off);
                        if(tmp_sgn !=0){
                            tmp_v0[tmp_off+1]+= tmp_sgn*tmp_v1[j]*tmp_trans;
                        }
                    }
                }
            }
        }else{
            fprintf(stdoutMPI, "ERROR: hopping is not allowed in localized spin system\n");
            return FALSE;
        }
    }
    return TRUE;
}

GetPairExcitedStateSpin()

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

Calculation of pair excited state for Spin canonical system

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 226 of file PairExSpin.c.

References FALSE, GetPairExcitedStateGeneralSpin(), GetPairExcitedStateHalfSpin(), and X.

Referenced by GetPairExcitedState().

 {
    int iret=0;
    if (X->Def.iFlgGeneralSpin == FALSE) {
        iret=GetPairExcitedStateHalfSpin(X, tmp_v0, tmp_v1);
    }
    else{
        iret=GetPairExcitedStateGeneralSpin(X, tmp_v0, tmp_v1);
    }
    return iret;
}

GetPairExcitedStateSpinGC()

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

Calculation of pair excited state for Spin Grand canonical system.

Parameters

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

Returns

TRUE: Normally finished

FALSE: Abnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Parameters

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

Definition at line 35 of file PairExSpin.c.

References FALSE, GetPairExcitedStateGeneralSpinGC(), GetPairExcitedStateHalfSpinGC(), and X.

Referenced by GetPairExcitedState().

 {

    int iret=0;
    if (X->Def.iFlgGeneralSpin == FALSE) {
        iret=GetPairExcitedStateHalfSpinGC(X, tmp_v0, tmp_v1);
    }
    else{
        iret=GetPairExcitedStateGeneralSpinGC(X, tmp_v0, tmp_v1);
    }
    return iret;
}