/**
* @brief Parent function to calculate two-body green's functions
*
* @param X data list for calculation
* @param vec eigenvectors
*
* @retval 0 normally finished
* @retval -1 unnormally finished
* @note the origin of function's name cisajscktalt comes from c=creation, i=ith site, s=spin, a=annihiration, j=jth site and so on.
*
* @version 0.2
* @details add function to treat the case of general spin
*
* @version 0.1
* @author Takahiro Misawa (The University of Tokyo)
* @author Kazuyoshi Yoshimi (The University of Tokyo)
*/
int expec_cisajscktaltdc
(
struct BindStruct *X,
double complex *vec
)
{
FILE *fp;
char sdt[D_FileNameMax];
long unsigned int i,j;
long unsigned int irght,ilft,ihfbit;
long unsigned int isite1,isite2,isite3,isite4;
long unsigned int org_isite1,org_isite2,org_isite3,org_isite4;
long unsigned int org_sigma1,org_sigma2,org_sigma3,org_sigma4;
long unsigned int tmp_org_isite1,tmp_org_isite2,tmp_org_isite3,tmp_org_isite4;
long unsigned int tmp_org_sigma1,tmp_org_sigma2,tmp_org_sigma3,tmp_org_sigma4;
long unsigned int isA_up, isB_up;
long unsigned int is1_up, is2_up;
long unsigned int Asum,Bsum,Adiff,Bdiff;
long unsigned int tmp_off=0;
long unsigned int tmp_off_2=0;
long unsigned int list1_off=0;
int tmp_sgn, num1, num2;
double complex tmp_V;
double complex dam_pr;
long int i_max;
//For TPQ
int step=0;
int rand_i=0;
//For Kond
double complex dmv;
if(X->Def.NCisAjtCkuAlvDC <1) return 0;
i_max=X->Check.idim_max;
X->Large.mode=M_CORR;
tmp_V = 1.0+0.0*I;
if(GetSplitBitByModel(X->Def.Nsite, X->Def.iCalcModel, &irght, &ilft, &ihfbit)!=0) {
return -1;
}
dam_pr=0.0;
//Make File Name for output
switch (X->Def.iCalcType) {
case Lanczos:
if(X->Def.St==0) {
sprintf(sdt, cFileName2BGreen_Lanczos, X->Def.CDataFileHead);
TimeKeeper(X, cFileNameTimeKeep, cLanczosExpecTwoBodyGStart,"a");
fprintf(stdoutMPI, "%s", cLogLanczosExpecTwoBodyGStart);
} else if(X->Def.St==1) {
sprintf(sdt, cFileName2BGreen_CG, X->Def.CDataFileHead);
TimeKeeper(X, cFileNameTimeKeep, cCGExpecTwoBodyGStart,"a");
fprintf(stdoutMPI, "%s", cLogLanczosExpecTwoBodyGStart);
}
break;
case TPQCalc:
step=X->Def.istep;
rand_i=X->Def.irand;
TimeKeeperWithRandAndStep(X, cFileNameTimeKeep, cTPQExpecTwoBodyGStart, "a", rand_i, step);
sprintf(sdt, cFileName2BGreen_TPQ, X->Def.CDataFileHead, rand_i, step);
break;
case FullDiag:
sprintf(sdt, cFileName2BGreen_FullDiag, X->Def.CDataFileHead, X->Phys.eigen_num);
break;
}
if(!childfopenMPI(sdt, "w", &fp)==0) {
return -1;
}
switch(X->Def.iCalcModel) {
case HubbardGC:
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
dam_pr=0.0;
if(CheckPE(org_isite1-1, X)==TRUE || CheckPE(org_isite2-1, X)==TRUE ||
CheckPE(org_isite3-1, X)==TRUE || CheckPE(org_isite4-1, X)==TRUE) {
isite1 = X->Def.OrgTpow[2*org_isite1-2+org_sigma1] ;
isite2 = X->Def.OrgTpow[2*org_isite2-2+org_sigma2] ;
isite3 = X->Def.OrgTpow[2*org_isite3-2+org_sigma3] ;
isite4 = X->Def.OrgTpow[2*org_isite4-2+org_sigma4] ;
if(isite1 == isite2 && isite3 == isite4) {
dam_pr = X_GC_child_CisAisCjtAjt_Hubbard_MPI(org_isite1-1, org_sigma1,
org_isite3-1, org_sigma3,
1.0, X, vec, vec);
}
else if(isite1 == isite2 && isite3 != isite4) {
dam_pr = X_GC_child_CisAisCjtAku_Hubbard_MPI(org_isite1-1, org_sigma1,
org_isite3-1, org_sigma3, org_isite4-1, org_sigma4,
1.0, X, vec, vec);
}
else if(isite1 != isite2 && isite3 == isite4) {
dam_pr = X_GC_child_CisAjtCkuAku_Hubbard_MPI(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2,
org_isite3-1, org_sigma3,
1.0, X, vec, vec);
}
else if(isite1 != isite2 && isite3 != isite4) {
dam_pr = X_GC_child_CisAjtCkuAlv_Hubbard_MPI(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2,
org_isite3-1, org_sigma3, org_isite4-1, org_sigma4,
1.0, X, vec, vec);
}
}//InterPE
else {
child_general_int_GetInfo
(
i,
X,
org_isite1,
org_isite2,
org_isite3,
org_isite4,
org_sigma1,
org_sigma2,
org_sigma3,
org_sigma4,
tmp_V
);
i_max = X->Large.i_max;
isite1 = X->Large.is1_spin;
isite2 = X->Large.is2_spin;
Asum = X->Large.isA_spin;
Adiff = X->Large.A_spin;
isite3 = X->Large.is3_spin;
isite4 = X->Large.is4_spin;
Bsum = X->Large.isB_spin;
Bdiff = X->Large.B_spin;
if(isite1 == isite2 && isite3 == isite4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr += GC_child_CisAisCisAis_element(j, isite1, isite3, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 == isite2 && isite3 != isite4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr += GC_child_CisAisCjtAku_element(j, isite1, isite3, isite4, Bsum, Bdiff, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 != isite2 && isite3 == isite4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr +=GC_child_CisAjtCkuAku_element(j, isite1, isite2, isite3, Asum, Adiff, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 != isite2 && isite3 != isite4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr +=GC_child_CisAjtCkuAlv_element(j, isite1, isite2, isite3, isite4, Asum, Adiff, Bsum, Bdiff, tmp_V, vec, vec, X, &tmp_off_2);
}
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf\n",org_isite1-1,org_sigma1, org_isite2-1,org_sigma2, org_isite3-1, org_sigma3, org_isite4-1,org_sigma4, creal(dam_pr), cimag(dam_pr));
}//Intra PE
break;
case KondoGC:
case Hubbard:
case Kondo:
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
tmp_V = 1.0;
dam_pr=0.0;
if(X->Def.iFlgSzConserved ==TRUE) {
if(org_sigma1+org_sigma3 != org_sigma2+org_sigma4) {
dam_pr=SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",org_isite1-1, org_sigma1, org_isite2-1, org_sigma2, org_isite3-1, org_sigma3, org_isite4-1, org_sigma4, creal(dam_pr), cimag(dam_pr));
continue;
}
}
if(CheckPE(org_isite1-1, X)==TRUE || CheckPE(org_isite2-1, X)==TRUE ||
CheckPE(org_isite3-1, X)==TRUE || CheckPE(org_isite4-1, X)==TRUE) {
isite1 = X->Def.OrgTpow[2*org_isite1-2+org_sigma1] ;
isite2 = X->Def.OrgTpow[2*org_isite2-2+org_sigma2] ;
isite3 = X->Def.OrgTpow[2*org_isite3-2+org_sigma3] ;
isite4 = X->Def.OrgTpow[2*org_isite4-2+org_sigma4] ;
if(isite1 == isite2 && isite3 == isite4) {
dam_pr = X_child_CisAisCjtAjt_Hubbard_MPI(org_isite1-1, org_sigma1,
org_isite3-1, org_sigma3,
1.0, X, vec, vec);
}
else if(isite1 == isite2 && isite3 != isite4) {
dam_pr = X_child_CisAisCjtAku_Hubbard_MPI(org_isite1-1, org_sigma1,
org_isite3-1, org_sigma3, org_isite4-1, org_sigma4,
1.0, X, vec, vec);
}
else if(isite1 != isite2 && isite3 == isite4) {
dam_pr = X_child_CisAjtCkuAku_Hubbard_MPI(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2,
org_isite3-1, org_sigma3,
1.0, X, vec, vec);
}
else if(isite1 != isite2 && isite3 != isite4) {
dam_pr = X_child_CisAjtCkuAlv_Hubbard_MPI(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2,
org_isite3-1, org_sigma3, org_isite4-1, org_sigma4,
1.0, X, vec, vec);
}
}//InterPE
else {
child_general_int_GetInfo(
i,
X,
org_isite1,
org_isite2,
org_isite3,
org_isite4,
org_sigma1,
org_sigma2,
org_sigma3,
org_sigma4,
tmp_V
);
i_max = X->Large.i_max;
isite1 = X->Large.is1_spin;
isite2 = X->Large.is2_spin;
Asum = X->Large.isA_spin;
Adiff = X->Large.A_spin;
isite3 = X->Large.is3_spin;
isite4 = X->Large.is4_spin;
Bsum = X->Large.isB_spin;
Bdiff = X->Large.B_spin;
tmp_V = 1.0;
dam_pr = 0.0;
if(isite1 == isite2 && isite3 == isite4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2) shared(vec,tmp_V)
for(j=1; j<=i_max; j++) {
dam_pr += child_CisAisCisAis_element(j, isite1, isite3, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 == isite2 && isite3 != isite4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2) shared(vec,tmp_V)
for(j=1; j<=i_max; j++) {
dam_pr += child_CisAisCjtAku_element(j, isite1, isite3, isite4, Bsum, Bdiff, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 != isite2 && isite3 == isite4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2) shared(vec,tmp_V)
for(j=1; j<=i_max; j++) {
dam_pr +=child_CisAjtCkuAku_element(j, isite1, isite2, isite3, Asum, Adiff, tmp_V, vec, vec, X, &tmp_off);
}
} else if(isite1 != isite2 && isite3 != isite4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isite1,isite2,isite4,isite3,Asum,Bsum,Adiff,Bdiff,tmp_off,tmp_off_2) shared(vec,tmp_V)
for(j=1; j<=i_max; j++) {
dam_pr +=child_CisAjtCkuAlv_element(j, isite1, isite2, isite3, isite4, Asum, Adiff, Bsum, Bdiff, tmp_V, vec, vec, X, &tmp_off_2);
}
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf\n",org_isite1-1,org_sigma1, org_isite2-1,org_sigma2, org_isite3-1, org_sigma3, org_isite4-1,org_sigma4, creal(dam_pr), cimag(dam_pr));
}
break;
case Spin:
if(X->Def.iFlgGeneralSpin==FALSE) {
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
tmp_org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
tmp_org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
tmp_org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
tmp_org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
tmp_org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
tmp_org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
tmp_org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X)!=0) {
//error message will be added
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
dam_pr = 0.0;
if(org_isite1 >X->Def.Nsite && org_isite3>X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
is1_up = X->Def.Tpow[org_isite1 - 1];
is2_up = X->Def.Tpow[org_isite3 - 1];
num1 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is1_up, org_sigma1);
num2 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is2_up, org_sigma3);
#pragma omp parallel for default(none) reduction (+:dam_pr) shared(vec) \
firstprivate(i_max, num1, num2, tmp_V) private(j)
for (j = 1; j <= i_max; j++) {
dam_pr += tmp_V*num1*num2*vec[j]*conj(vec[j]);
}
}
else if(org_isite1==org_isite3 && org_sigma1==org_sigma4 && org_sigma2==org_sigma3) {
is1_up = X->Def.Tpow[org_isite1 - 1];
num1 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is1_up, org_sigma1);
#pragma omp parallel for default(none) reduction (+:dam_pr) shared(vec) \
firstprivate(i_max, num1, num2, tmp_V) private(j)
for (j = 1; j <= i_max; j++) {
dam_pr += tmp_V*num1*vec[j]*conj(vec[j]);
}
}
else if(org_sigma1==org_sigma4 && org_sigma2==org_sigma3) { //exchange
dam_pr += X_child_general_int_spin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else { // other process is not allowed
// error message will be added
}
}
else if(org_isite1 > X->Def.Nsite || org_isite3>X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
is1_up = X->Def.Tpow[org_isite1 - 1];
is2_up = X->Def.Tpow[org_isite3 - 1];
num2 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is2_up, org_sigma3);
dam_pr=0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr)shared(vec) \
firstprivate(i_max, tmp_V, is1_up, org_sigma1, X, num2) private(j, num1)
for (j = 1; j <= i_max; j++) {
num1 = X_Spin_CisAis(j, X, is1_up, org_sigma1);
dam_pr += tmp_V*num1*num2*conj(vec[j])*vec[j];
}
}
else if(org_sigma1==org_sigma4 && org_sigma2==org_sigma3) { //exchange
dam_pr += X_child_general_int_spin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else { // other process is not allowed
// error message will be added
dam_pr=0.0;
}
}
else {
isA_up = X->Def.Tpow[org_isite1-1];
isB_up = X->Def.Tpow[org_isite3-1];
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2, tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr +=child_CisAisCisAis_spin_element(j, isA_up, isB_up, org_sigma2, org_sigma4, tmp_V, vec, vec, X);
}
} else if(org_isite1==org_isite3 && org_sigma1==org_sigma4 && org_sigma3==org_sigma2) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, dmv) firstprivate(i_max,X,isA_up, tmp_V) shared(vec, list_1)
for(j=1; j<=i_max; j++) {
dmv=X_CisAis(list_1[j], X, isA_up);
dam_pr += vec[j]*tmp_V*dmv*conj(vec[j]);
}
}
else if(org_sigma1==org_sigma4 && org_sigma2==org_sigma3) { // exchange
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
tmp_sgn = X_child_exchange_spin_element(j,X,isA_up,isB_up,org_sigma2,org_sigma4,&tmp_off);
dmv = vec[j]*tmp_sgn;
dam_pr += conj(vec[tmp_off])*dmv;
}
} else { // other process is not allowed
// error message will be added
dam_pr=0.0;
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1, tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,creal(dam_pr),cimag(dam_pr));
}
}//iFlgGeneralSpin = FALSE
else {
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
tmp_org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
tmp_org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
tmp_org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
tmp_org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
tmp_org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
tmp_org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
tmp_org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X)!=0) {
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
dam_pr = 0.0;
if(org_isite1 >X->Def.Nsite && org_isite3>X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr=X_child_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_child_CisAitCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec);
}
else {
dam_pr=0.0;
}
}
else if(org_isite3 > X->Def.Nsite || org_isite1 > X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr=X_child_CisAisCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_child_CisAitCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec);
}
else {
dam_pr=0.0;
}
}
else {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X,org_isite1, org_sigma1,org_isite3, org_sigma3, tmp_V) shared(vec,list_1)
for(j=1; j<=i_max; j++) {
num1=BitCheckGeneral(list_1[j], org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1=BitCheckGeneral(list_1[j], org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[j])*vec[j];
}
}
}
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1, org_sigma2, org_sigma3, org_sigma4, tmp_off, tmp_off_2, list1_off, tmp_V) shared(vec, list_1)
for(j=1; j<=i_max; j++) {
num1 = num1*GetOffCompGeneralSpin(list_1[j], org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1 = GetOffCompGeneralSpin(tmp_off, org_isite1, org_sigma2, org_sigma1, &tmp_off_2, X->Def.SiteToBit, X->Def.Tpow);
ConvertToList1GeneralSpin(tmp_off_2, X->Check.sdim, &list1_off);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[list1_off])*vec[j];
}
}
}
}
else {
dam_pr=0.0;
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1, tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4, creal(dam_pr),cimag(dam_pr));
}
}
break;
case SpinGC:
if(X->Def.iFlgGeneralSpin==FALSE) {
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
tmp_org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
tmp_org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
tmp_org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
tmp_org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
tmp_org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
tmp_org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
tmp_org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X)!=0) {
//error message will be added
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
dam_pr=0.0;
if(org_isite1>X->Def.Nsite && org_isite3>X->Def.Nsite) { //org_isite3 >= org_isite1 > Nsite
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr += X_GC_child_CisAisCjuAju_spin_MPIdouble( (org_isite1-1), org_sigma1, (org_isite3-1), org_sigma3, tmp_V, X, vec, vec);
}
else if(org_isite1 ==org_isite3 && org_sigma1 ==org_sigma4 && org_sigma2 ==org_sigma3) { //diagonal (for spin: cuadcdau=cuau)
dam_pr += X_GC_child_CisAis_spin_MPIdouble((org_isite1-1), org_sigma1, tmp_V, X, vec, vec);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr += X_GC_child_CisAisCjuAjv_spin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
dam_pr += X_GC_child_CisAitCjuAju_spin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr += X_GC_child_CisAitCiuAiv_spin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
}
else if(org_isite3>X->Def.Nsite || org_isite1>X->Def.Nsite) { //org_isite3 > Nsite >= org_isite1
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr += X_GC_child_CisAisCjuAju_spin_MPIsingle( (org_isite1-1), org_sigma1, (org_isite3-1), org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr += X_GC_child_CisAisCjuAjv_spin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
dam_pr += X_GC_child_CisAitCjuAju_spin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr += X_GC_child_CisAitCiuAiv_spin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
}
else {
if(org_isite1==org_isite2 && org_isite3==org_isite4) {
isA_up = X->Def.Tpow[org_isite2-1];
isB_up = X->Def.Tpow[org_isite4-1];
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr +=GC_child_CisAisCisAis_spin_element(j, isA_up, isB_up, org_sigma2, org_sigma4, tmp_V, vec, vec, X);
}
} else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr += GC_child_CisAisCitAiu_spin_element(j, org_sigma2, org_sigma4, isA_up, isB_up, tmp_V, vec, vec, X, &tmp_off);
}
} else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr += GC_child_CisAitCiuAiu_spin_element(j, org_sigma2, org_sigma4, isA_up, isB_up, tmp_V, vec, vec, X, &tmp_off);
}
} else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr = 0.0;
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, tmp_sgn, dmv) firstprivate(i_max,X,isA_up,isB_up,org_sigma2,org_sigma4,tmp_off,tmp_off_2,tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
dam_pr += GC_child_CisAitCiuAiv_spin_element(j, org_sigma2, org_sigma4, isA_up, isB_up, tmp_V, vec, vec, X, &tmp_off);
}
}
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1, tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,creal(dam_pr),cimag(dam_pr));
}
}
else {
for(i=0; i<X->Def.NCisAjtCkuAlvDC; i++) {
tmp_org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
tmp_org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
tmp_org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
tmp_org_sigma2 = X->Def.CisAjtCkuAlvDC[i][3];
tmp_org_isite3 = X->Def.CisAjtCkuAlvDC[i][4]+1;
tmp_org_sigma3 = X->Def.CisAjtCkuAlvDC[i][5];
tmp_org_isite4 = X->Def.CisAjtCkuAlvDC[i][6]+1;
tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X)!=0) {
//error message will be added
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
dam_pr = 0.0;
if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr=X_GC_child_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_GC_child_CisAisCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
dam_pr=X_GC_child_CisAitCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_GC_child_CisAitCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec);
}
}
else if(org_isite3 > X->Def.Nsite || org_isite1 > X->Def.Nsite) {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
dam_pr=X_GC_child_CisAisCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
dam_pr=X_GC_child_CisAitCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
dam_pr=X_GC_child_CisAitCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec);
}
}
else {
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ) { //diagonal
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X,org_isite1, org_sigma1,org_isite3, org_sigma3, tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
num1=BitCheckGeneral(j-1, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1=BitCheckGeneral(j-1, org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[j])*vec[j];
}
}
}
} else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma3,org_sigma4, tmp_off, tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1=BitCheckGeneral(tmp_off, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[tmp_off+1])*vec[j];
}
}
}
} else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma2, org_sigma3, tmp_off, tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
num1 = BitCheckGeneral(j-1, org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1 = GetOffCompGeneralSpin(j-1, org_isite1, org_sigma2, org_sigma1, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[tmp_off+1])*vec[j];
}
}
}
} else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4) {
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1, org_sigma2, org_sigma3, org_sigma4, tmp_off, tmp_off_2, tmp_V) shared(vec)
for(j=1; j<=i_max; j++) {
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
num1 = GetOffCompGeneralSpin(tmp_off, org_isite1, org_sigma2, org_sigma1, &tmp_off_2, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE) {
dam_pr += tmp_V*conj(vec[tmp_off_2+1])*vec[j];
}
}
}
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1, tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4, creal(dam_pr),cimag(dam_pr));
}
}
break;
default:
return -1;
}
fclose(fp);
if(X->Def.iCalcType==Lanczos) {
if(X->Def.St==0) {
TimeKeeper(X, cFileNameTimeKeep, cLanczosExpecTwoBodyGFinish,"a");
fprintf(stdoutMPI, "%s", cLogLanczosExpecTwoBodyGFinish);
} else if(X->Def.St==1) {
TimeKeeper(X, cFileNameTimeKeep, cCGExpecTwoBodyGFinish,"a");
fprintf(stdoutMPI, "%s", cLogCGExpecTwoBodyGFinish);
}
}
else if(X->Def.iCalcType==TPQCalc) {
TimeKeeperWithRandAndStep(X, cFileNameTimeKeep, cTPQExpecTwoBodyGFinish, "a", rand_i, step);
}
//[s] this part will be added
/* For FullDiag, it is convinient to calculate the total spin for each vector.
Such functions will be added
if(X->Def.iCalcType==FullDiag){
if(X->Def.iCalcModel==Spin){
expec_cisajscktaltdc_alldiag_spin(X,vec);
}else if(X->Def.iCalcModel==Hubbard || X->Def.iCalcModel==Kondo){
expec_cisajscktaltdc_alldiag(X,vec);
}else{//
X->Phys.s2=0.0;
}
}
*/
//[e]
return 0;
}
/**
*
*
* @param isite1
* @param isite2
* @param isigma1
* @param isigma2
* @param dtmp_V
* @param X
*
* @author Takahiro Misawa (The University of Tokyo)
* @author Kazuyoshi Yoshimi (The University of Tokyo)
* @return
*/
int SetDiagonalInterAll
(
const long unsigned int isite1,
const long unsigned int isite2,
long unsigned int isigma1,
long unsigned int isigma2,
double dtmp_V,
struct BindStruct *X
)
{
long unsigned int is1_spin;
long unsigned int is2_spin;
long unsigned int is1_up;
long unsigned int is2_up;
long unsigned int ibit1_spin;
long unsigned int ibit2_spin;
long unsigned int num1;
long unsigned int num2;
long unsigned int j;
long unsigned int i_max=X->Check.idim_max;
switch (X->Def.iCalcModel){
case HubbardGC: //list_1[j] -> j-1
is1_spin = X->Def.Tpow[2*isite1-2+isigma1];
is2_spin = X->Def.Tpow[2*isite2-2+isigma2];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_spin, is2_spin) private(num1, ibit1_spin, num2, ibit2_spin)
for(j = 1;j <= i_max;j++){
num1=0;
num2=0;
ibit1_spin=(j-1)&is1_spin;
num1+=ibit1_spin/is1_spin;
ibit2_spin=(j-1)&is2_spin;
num2+=ibit2_spin/is2_spin;
list_Diagonal[j]+=num1*num2*dtmp_V;
}
break;
case KondoGC:
case Hubbard:
case Kondo:
is1_spin = X->Def.Tpow[2*isite1-2+isigma1];
is2_spin = X->Def.Tpow[2*isite2-2+isigma2];
#pragma omp parallel for default(none) shared(list_Diagonal, list_1) firstprivate(i_max, dtmp_V, is1_spin, is2_spin) private(num1, ibit1_spin, num2, ibit2_spin)
for(j = 1;j <= i_max;j++){
num1=0;
num2=0;
ibit1_spin=list_1[j]&is1_spin;
num1+=ibit1_spin/is1_spin;
ibit2_spin=list_1[j]&is2_spin;
num2+=ibit2_spin/is2_spin;
list_Diagonal[j]+=num1*num2*dtmp_V;
}
break;
case Spin:
is1_up = X->Def.Tpow[isite1-1];
is2_up = X->Def.Tpow[isite2-1];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_up, is2_up, isigma1, isigma2, X) private(j, num1, num2)
for(j = 1;j <= i_max; j++){
num1=X_Spin_CisAis(j, X, is1_up, isigma1);
num2=X_Spin_CisAis(j, X, is2_up, isigma2);
list_Diagonal[j] += num1*num2*dtmp_V;
}
break;
case SpinGC:
is1_up = X->Def.Tpow[isite1-1];
is2_up = X->Def.Tpow[isite2-1];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_up, is2_up, isigma1, isigma2, X) private(j, num1, num2)
for(j = 1;j <= i_max; j++){
num1=X_SpinGC_CisAis(j, X, is1_up, isigma1);
num2=X_SpinGC_CisAis(j, X, is2_up, isigma2);
list_Diagonal[j] += num1*num2*dtmp_V;
}
return -1;
break;
default:
printf(cErrNoModel, X->Def.iCalcModel);
return -1;
}
return 0;
}
/**
*
*
* @param isite1
* @param isite2
* @param isigma1
* @param isigma2
* @param dtmp_V
* @param X
*
* @author Takahiro Misawa (The University of Tokyo)
* @author Kazuyoshi Yoshimi (The University of Tokyo)
* @return
*/
int SetDiagonalInterAll
(
long unsigned int isite1,
long unsigned int isite2,
long unsigned int isigma1,
long unsigned int isigma2,
double dtmp_V,
struct BindStruct *X
)
{
long unsigned int is1_spin;
long unsigned int is2_spin;
long unsigned int is1_up;
long unsigned int is2_up;
long unsigned int ibit1_spin;
long unsigned int ibit2_spin;
long unsigned int num1;
long unsigned int num2;
long unsigned int j;
long unsigned int i_max=X->Check.idim_max;
/*
Forse isite1 <= isite2
*/
if (isite2 < isite1) {
j = isite2;
isite2 = isite1;
isite1 = j;
j = isigma2;
isigma2 = isigma1;
isigma1 = j;
}
/*
When isite1 & site2 are in the inter process regino
*/
if (isite1 > X->Def.Nsite) {
switch (X->Def.iCalcModel) {
case HubbardGC:
case KondoGC:
case Hubbard:
case Kondo:
is1_spin = X->Def.Tpow[2 * isite1 - 2 + isigma1];
is2_spin = X->Def.Tpow[2 * isite2 - 2 + isigma2];
num1 = 0;
ibit1_spin = (unsigned long int)myrank&is1_spin;
num1 += ibit1_spin / is1_spin;
num2 = 0;
ibit2_spin = (unsigned long int)myrank&is2_spin;
num2 += ibit2_spin / is2_spin;
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, num2, num1) private(ibit1_spin, j)
for (j = 1; j <= i_max; j++) list_Diagonal[j] += num1*num2*dtmp_V;
break;/*case HubbardGC, KondoGC, Hubbard, Kondo:*/
case SpinGC:
case Spin:
if (X->Def.iFlgGeneralSpin == FALSE) {
is1_up = X->Def.Tpow[isite1 - 1];
is2_up = X->Def.Tpow[isite2 - 1];
num1 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is1_up, isigma1);
num2 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is2_up, isigma2);
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, is1_up, isigma1, X, num1, num2) private(j)
for (j = 1; j <= i_max; j++) {
list_Diagonal[j] += num1*num2*dtmp_V;
}
}/*if (X->Def.iFlgGeneralSpin == FALSE)*/
else {//start:generalspin
num1 = BitCheckGeneral((unsigned long int)myrank, isite1, isigma1,
X->Def.SiteToBit, X->Def.Tpow);
num2 = BitCheckGeneral((unsigned long int)myrank, isite2, isigma2,
X->Def.SiteToBit, X->Def.Tpow);
if (num1 !=0 && num2 != 0) {
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, num1, X) private(j)
for (j = 1; j <= i_max; j++) list_Diagonal[j] += dtmp_V*num1;
}
}/*if (X->Def.iFlgGeneralSpin == TRUE)*/
break;/*case SpinGC, Spin:*/
default:
fprintf(stdoutMPI, cErrNoModel, X->Def.iCalcModel);
return -1;
}/*if (isite1 > X->Def.Nsite)*/
return 0;
}/*if (isite1 > X->Def.Nsite)*/
else if (isite2 > X->Def.Nsite) {
switch (X->Def.iCalcModel) {
case HubbardGC:
is1_spin = X->Def.Tpow[2 * isite1 - 2 + isigma1];
is2_spin = X->Def.Tpow[2 * isite2 - 2 + isigma2];
num2 = 0;
ibit2_spin = (unsigned long int)myrank&is2_spin;
num2 += ibit2_spin / is2_spin;
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, is1_spin, num2) private(num1, ibit1_spin, j)
for (j = 1; j <= i_max; j++) {
num1 = 0;
ibit1_spin = (j - 1)&is1_spin;
num1 += ibit1_spin / is1_spin;
list_Diagonal[j] += num1*num2*dtmp_V;
}
break;/*case HubbardGC:*/
case KondoGC:
case Hubbard:
case Kondo:
is1_spin = X->Def.Tpow[2 * isite1 - 2 + isigma1];
is2_spin = X->Def.Tpow[2 * isite2 - 2 + isigma2];
num2 = 0;
ibit2_spin = (unsigned long int)myrank&is2_spin;
num2 += ibit2_spin / is2_spin;
#pragma omp parallel for default(none) shared(list_Diagonal, list_1) \
firstprivate(i_max, dtmp_V, is1_spin, num2) private(num1, ibit1_spin, j)
for (j = 1; j <= i_max; j++) {
num1 = 0;
ibit1_spin = list_1[j] & is1_spin;
num1 += ibit1_spin / is1_spin;
list_Diagonal[j] += num1*num2*dtmp_V;
}
break;/*case KondoGC, Hubbard, Kondo:*/
case SpinGC:
if (X->Def.iFlgGeneralSpin == FALSE) {
is1_up = X->Def.Tpow[isite1 - 1];
is2_up = X->Def.Tpow[isite2 - 1];
num2 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is2_up, isigma2);
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, is1_up, isigma1, X, num2) private(j, num1)
for (j = 1; j <= i_max; j++) {
num1 = X_SpinGC_CisAis(j, X, is1_up, isigma1);
list_Diagonal[j] += num1*num2*dtmp_V;
}
}/* if (X->Def.iFlgGeneralSpin == FALSE)*/
else {//start:generalspin
num2 = BitCheckGeneral((unsigned long int)myrank, isite2, isigma2,
X->Def.SiteToBit, X->Def.Tpow);
if (num2 != 0) {
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, isite1, isigma1, X) private(j, num1)
for (j = 1; j <= i_max; j++) {
num1 = BitCheckGeneral(j - 1, isite1, isigma1, X->Def.SiteToBit, X->Def.Tpow);
list_Diagonal[j] += dtmp_V*num1;
}
}
}/* if (X->Def.iFlgGeneralSpin == TRUE)*/
break;/*case SpinGC:*/
case Spin:
if (X->Def.iFlgGeneralSpin == FALSE) {
is1_up = X->Def.Tpow[isite1 - 1];
is2_up = X->Def.Tpow[isite2 - 1];
num2 = X_SpinGC_CisAis((unsigned long int)myrank + 1, X, is2_up, isigma2);
#pragma omp parallel for default(none) shared(list_Diagonal) \
firstprivate(i_max, dtmp_V, is1_up, isigma1, X, num2) private(j, num1)
for (j = 1; j <= i_max; j++) {
num1 = X_Spin_CisAis(j, X, is1_up, isigma1);
list_Diagonal[j] += num1*num2*dtmp_V;
}
}/* if (X->Def.iFlgGeneralSpin == FALSE)*/
else /* if (X->Def.iFlgGeneralSpin == TRUE)*/{
num2 = BitCheckGeneral((unsigned long int)myrank, isite2, isigma2, \
X->Def.SiteToBit, X->Def.Tpow);
if (num2 != 0) {
#pragma omp parallel for default(none) shared(list_Diagonal, list_1) \
firstprivate(i_max, dtmp_V, isite1, isigma1, X) private(j, num1)
for (j = 1; j <= i_max; j++) {
num1 = BitCheckGeneral(list_1[j], isite1, isigma1, X->Def.SiteToBit, X->Def.Tpow);
list_Diagonal[j] += dtmp_V*num1;
}
}
} /* if (X->Def.iFlgGeneralSpin == TRUE)*/
break;/*case Spin:*/
default:
fprintf(stdoutMPI, cErrNoModel, X->Def.iCalcModel);
return -1;
}/*switch (X->Def.iCalcModel)*/
return 0;
}/*else if (isite2 > X->Def.Nsite)*/
switch (X->Def.iCalcModel){
case HubbardGC: //list_1[j] -> j-1
is1_spin = X->Def.Tpow[2*isite1-2+isigma1];
is2_spin = X->Def.Tpow[2*isite2-2+isigma2];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_spin, is2_spin) private(num1, ibit1_spin, num2, ibit2_spin)
for(j = 1;j <= i_max;j++){
num1=0;
num2=0;
ibit1_spin=(j-1)&is1_spin;
num1+=ibit1_spin/is1_spin;
ibit2_spin=(j-1)&is2_spin;
num2+=ibit2_spin/is2_spin;
list_Diagonal[j]+=num1*num2*dtmp_V;
}
break;
case KondoGC:
case Hubbard:
case Kondo:
is1_spin = X->Def.Tpow[2*isite1-2+isigma1];
is2_spin = X->Def.Tpow[2*isite2-2+isigma2];
#pragma omp parallel for default(none) shared(list_Diagonal, list_1) firstprivate(i_max, dtmp_V, is1_spin, is2_spin) private(num1, ibit1_spin, num2, ibit2_spin)
for(j = 1;j <= i_max;j++){
num1=0;
num2=0;
ibit1_spin=list_1[j]&is1_spin;
num1+=ibit1_spin/is1_spin;
ibit2_spin=list_1[j]&is2_spin;
num2+=ibit2_spin/is2_spin;
list_Diagonal[j]+=num1*num2*dtmp_V;
}
break;
case Spin:
if(X->Def.iFlgGeneralSpin==FALSE){
is1_up = X->Def.Tpow[isite1-1];
is2_up = X->Def.Tpow[isite2-1];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_up, is2_up, isigma1, isigma2, X) private(j, num1, num2)
for(j = 1;j <= i_max; j++){
num1=X_Spin_CisAis(j, X, is1_up, isigma1);
num2=X_Spin_CisAis(j, X, is2_up, isigma2);
list_Diagonal[j] += num1*num2*dtmp_V;
}
}
else{
#pragma omp parallel for default(none) shared(list_Diagonal, list_1) firstprivate(i_max, dtmp_V, isite1, isite2, isigma1, isigma2, X) private(j, num1)
for(j = 1;j <= i_max; j++){
num1=BitCheckGeneral (list_1[j], isite1, isigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != 0){
num1=BitCheckGeneral (list_1[j], isite2, isigma2, X->Def.SiteToBit, X->Def.Tpow);
list_Diagonal[j] += dtmp_V*num1;
}
}
}
break;
case SpinGC:
if(X->Def.iFlgGeneralSpin==FALSE){
is1_up = X->Def.Tpow[isite1-1];
is2_up = X->Def.Tpow[isite2-1];
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, is1_up, is2_up, isigma1, isigma2, X) private(j, num1, num2)
for(j = 1;j <= i_max; j++){
num1=X_SpinGC_CisAis(j, X, is1_up, isigma1);
num2=X_SpinGC_CisAis(j, X, is2_up, isigma2);
list_Diagonal[j] += num1*num2*dtmp_V;
}
}
else{//start:generalspin
#pragma omp parallel for default(none) shared(list_Diagonal) firstprivate(i_max, dtmp_V, isite1, isite2, isigma1, isigma2, X) private(j, num1)
for(j = 1;j <= i_max; j++){
num1=BitCheckGeneral (j-1, isite1, isigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != 0){
num1=BitCheckGeneral (j-1, isite2, isigma2, X->Def.SiteToBit, X->Def.Tpow);
list_Diagonal[j] += dtmp_V*num1;
}
}
}
break;
default:
fprintf(stdoutMPI, cErrNoModel, X->Def.iCalcModel);
return -1;
}
return 0;
}
