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Merge pull request #159 from issp-center-dev/mod_sz
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Mod sz
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@k-yoshimi
k-yoshimi authored Dec 3, 2024
2 parents 8639a32 + 84c9e36 commit b560cc8
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Showing 24 changed files with 2,301 additions and 992 deletions.
4 changes: 3 additions & 1 deletion src/CalcByLOBPCG.c
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Original file line number Diff line number Diff line change
Expand Up @@ -650,12 +650,14 @@ int CalcByLOBPCG(
switch (X->Bind.Def.iCalcModel) {
case HubbardGC:
case SpinGC:
case KondoGC:
case SpinlessFermionGC:
initial_mode = 1; // 1 -> random initial vector
break;
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
case Spin:
case SpinlessFermion:

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4 changes: 3 additions & 1 deletion src/CalcByLanczos.c
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Original file line number Diff line number Diff line change
Expand Up @@ -69,12 +69,14 @@ int CalcByLanczos(
switch(X->Bind.Def.iCalcModel){
case HubbardGC:
case SpinGC:
case KondoGC:
case SpinlessFermionGC:
initial_mode = 1; // 1 -> random initial vector
break;
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
case Spin:
case SpinlessFermion:

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26 changes: 20 additions & 6 deletions src/CalcSpectrum.c
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Original file line number Diff line number Diff line change
Expand Up @@ -455,9 +455,12 @@ int MakeExcitedList(
case HubbardGC:
break;
case HubbardNConserved:
case KondoGC:
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:
*iFlgListModifed = TRUE;
break;
case Spin:
Expand All @@ -466,13 +469,16 @@ int MakeExcitedList(
}
} else if (X->Def.NPairExcitationOperator > 0) {
switch (X->Def.iCalcModel) {
case HubbardGC:
case SpinGC:
case HubbardNConserved:
break;
case HubbardGC:
case KondoGC:
case tJNConserved:
case tJGC:
break;
case Hubbard:
case Kondo:
case tJ:
case Spin:
if (X->Def.PairExcitationOperator[0][1] != X->Def.PairExcitationOperator[0][3]) {
*iFlgListModifed = TRUE;
Expand Down Expand Up @@ -519,16 +525,20 @@ int MakeExcitedList(
case HubbardGC:
break;
case HubbardNConserved:
case KondoNConserved:/*To be confirmed*/
case tJNConserved:/*To be confirmed*/
if (X->Def.SingleExcitationOperator[0][2] == 1) { //cis
X->Def.Ne = X->Def.NeMPI + 1;
}
else{
X->Def.Ne = X->Def.NeMPI - 1;
}
break;
case KondoGC:
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
if (X->Def.SingleExcitationOperator[0][2] == 1) { //cis
X->Def.Ne = X->Def.NeMPI + 1;
if (X->Def.SingleExcitationOperator[0][1] == 0) {//up
Expand Down Expand Up @@ -557,13 +567,17 @@ int MakeExcitedList(
} else if (X->Def.NPairExcitationOperator > 0) {
X->Def.Ne=X->Def.NeMPI;
switch (X->Def.iCalcModel) {
case HubbardGC:
case SpinGC:
case HubbardNConserved:
case HubbardGC:
case KondoNConserved:/*To be confirmed*/
case tJNConserved:/*To be confirmed*/
break;
case KondoGC:
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
if (X->Def.PairExcitationOperator[0][1] != X->Def.PairExcitationOperator[0][3]) {
if (X->Def.PairExcitationOperator[0][1] == 0) {//up
X->Def.Nup = X->Def.NupOrg + 1;
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99 changes: 93 additions & 6 deletions src/CheckMPI.c
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Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,11 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)
case Hubbard:
case HubbardNConserved:
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:

/**@brief
<li> For Hubbard & Kondo
Expand Down Expand Up @@ -104,6 +108,32 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)

break;/*case Hubbard:*/

case tJ:
/**@brief
<li>For canonical Hubbard
DefineList::Nup, DefineList::Ndown, and DefineList::Ne should be
differerent in each PE.</li>
*/
SmallDim = myrank;
for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
SpinNum = SmallDim % 4;
SmallDim /= 4;
if (SpinNum == 1 /*01*/) {
X->Def.Nup -= 1;
X->Def.Ne -= 1;
}
else if (SpinNum == 2 /*10*/) {
X->Def.Ndown -= 1;
X->Def.Ne -= 1;
}
/*else if (SpinNum == 3 //11){
X->Def.Nup -= 1;
X->Def.Ndown -= 1;
X->Def.Ne -= 2;
}*/
} /*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
break;/*case tJ:*/

case HubbardNConserved:
/**@brief
<li>For N-conserved canonical Hubbard
Expand All @@ -119,8 +149,24 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)

break; /*case HubbardNConserved:*/

case KondoGC:
case tJNConserved:
case tJGC:/*is this correct?*/
/**@brief
<li>For N-conserved canonical Hubbard
DefineList::Ne should be differerent in each PE.</li>
*/
SmallDim = myrank;
for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
SpinNum = SmallDim % 4;
SmallDim /= 4;
if (SpinNum == 1 /*01*/ || SpinNum == 2 /*10*/) X->Def.Ne -= 1;
//else if (SpinNum == 3 /*11*/) X->Def.Ne -= 2;
} /*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
break; /*case HubbardNConserved:*/

case Kondo:
case KondoNConserved:
case KondoGC:
/**@brief
<li>For canonical Kondo system
DefineList::Nup, DefineList::Ndown, and DefineList::Ne should be
Expand Down Expand Up @@ -155,7 +201,32 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)
}
}/*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
} /*if (X->Def.iCalcModel == Kondo)*/

else if(X->Def.iCalcModel == KondoNConserved){
SmallDim = myrank;
for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
SpinNum = SmallDim % 4;
SmallDim /= 4;
if (X->Def.LocSpn[isite] == ITINERANT) {
if (SpinNum == 1 /*01*/) {
//X->Def.Nup -= 1;
X->Def.Ne -= 1;
}
else if (SpinNum == 2 /*10*/) {
//X->Def.Ndown -= 1;
X->Def.Ne -= 1;
}
else if (SpinNum == 3 /*11*/) {
//X->Def.Nup -= 1;
//X->Def.Ndown -= 1;
X->Def.Ne -= 2;
}
}
else {
fprintf(stdoutMPI, "\n Stop because local spin in the inter process region\n");
return FALSE;
}
}/*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
}
break; /*case KondoGC, Kondo*/

} /*switch (X->Def.iCalcModel) 2(inner)*/
Expand Down Expand Up @@ -318,11 +389,15 @@ void CheckMPI_Summary(struct BindStruct *X/**< [inout] */) {
fprintf(stdoutMPI, " Site Bit\n");
for (isite = 0; isite < X->Def.Nsite; isite++) {
switch (X->Def.iCalcModel) {
case HubbardGC:
case Hubbard:
case HubbardNConserved:
case HubbardGC:
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:

fprintf(stdoutMPI, " %4d %4d\n", isite, 4);
break;
Expand All @@ -346,11 +421,15 @@ void CheckMPI_Summary(struct BindStruct *X/**< [inout] */) {
fprintf(stdoutMPI, " Site Bit\n");
for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
switch (X->Def.iCalcModel) {
case HubbardGC:
case Hubbard:
case HubbardNConserved:
case HubbardGC:
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:

fprintf(stdoutMPI, " %4d %4d\n", isite, 4);
break;
Expand Down Expand Up @@ -404,11 +483,15 @@ void CheckMPI_Summary(struct BindStruct *X/**< [inout] */) {
as a binary (excepting general spin) format.
*/
switch (X->Def.iCalcModel) {
case HubbardGC: /****************************************************/
case Hubbard:
case HubbardNConserved:
case HubbardGC: /****************************************************/
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:

SmallDim = iproc;
for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
Expand Down Expand Up @@ -466,11 +549,15 @@ void CheckMPI_Summary(struct BindStruct *X/**< [inout] */) {
affected by the number of processes.
*/
switch (X->Def.iCalcModel) {
case HubbardGC: /****************************************************/
case Hubbard:
case HubbardNConserved:
case HubbardGC: /****************************************************/
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:

X->Def.Tpow[2 * X->Def.Nsite] = 1;
for (isite = 2 * X->Def.Nsite + 1; isite < 2 * X->Def.NsiteMPI; isite++)
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4 changes: 3 additions & 1 deletion src/PairEx.c
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Original file line number Diff line number Diff line change
Expand Up @@ -76,9 +76,11 @@ int GetPairExcitedState
iret=GetPairExcitedStateHubbardGC(X, tmp_v0, tmp_v1);
break;

case KondoGC:
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
iret=GetPairExcitedStateHubbard(X, tmp_v0, tmp_v1);
break;

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4 changes: 3 additions & 1 deletion src/SingleEx.c
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Original file line number Diff line number Diff line change
Expand Up @@ -41,9 +41,11 @@ int GetSingleExcitedState(
iret = GetSingleExcitedStateHubbardGC(X, tmp_v0, tmp_v1);
break;

case KondoGC:
case Hubbard:
case Kondo:
case KondoGC:
case tJ:
case tJGC:
iret = GetSingleExcitedStateHubbard(X, tmp_v0, tmp_v1);
break;

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8 changes: 6 additions & 2 deletions src/bitcalc.c
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Original file line number Diff line number Diff line change
Expand Up @@ -85,11 +85,15 @@ int GetSplitBitByModel(
{
int tmpNsite=Nsite;
switch(iCalcModel){
case Hubbard:
case HubbardGC:
case KondoGC:
case HubbardNConserved:
case Hubbard:
case Kondo:
case KondoNConserved:
case KondoGC:
case tJ:
case tJNConserved:
case tJGC:
tmpNsite *= 2;
break;
case Spin:
Expand Down
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