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correct bug in KondoNConserved
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@tmisawa
tmisawa committed May 2, 2024
1 parent 5a0b76d commit 66f9c8e
Showing 1 changed file with 58 additions and 26 deletions.
84 changes: 58 additions & 26 deletions src/sz.c
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Original file line number Diff line number Diff line change
Expand Up @@ -311,7 +311,7 @@ int sz(
icnt+=omp_sz_KondoNConserved(ib,ihfbit, X, list_1_, list_2_1_, list_2_2_, list_jb);
}
BarrierMPI();
printf("AAA icnt=%ld\n",icnt);
//printf("AAA icnt=%ld\n",icnt);
break;
case Kondo:
calculate_jb_Kondo(X, list_jb,ihfbit);
Expand Down Expand Up @@ -922,36 +922,68 @@ int omp_sz_KondoNConserved(
if(X->Def.LocSpn[j] == ITINERANT){
num_up += div_up;
num_down += div_down;
}else{
num_up += div_up;
num_down += div_down;
if(X->Def.Nsite%2==1 && j==(X->Def.Nsite/2)){
icheck_loc= icheck_loc;
}
else{
icheck_loc = icheck_loc*(div_up^div_down);// exclude doubllly ocupited site
}
}
}

ja=1;
//printf("DEBUG: num_up %d num_down %d Ne %d NLocSpn %d \n",num_up,num_down,X->Def.Ne,X->Def.NLocSpn);
if(num_up+num_down == X->Def.Ne-X->Def.NLocSpn){
for(ia=0;ia<X->Check.sdim;ia++){
i=ia;
num_up = 0;
num_down = 0;
icheck_loc=1;
//for(j=0;j<(X->Def.Nsite+1)/2;j++){ /* is this correct?*/
for(j=0;j<(X->Def.Nsite)/2;j++){ /*we assume local spins exist i<X->Def.Nsite/2, X->Def.Nsite should be a even number.*/
div_up = i & X->Def.Tpow[2*j];
div_up = div_up/X->Def.Tpow[2*j];
div_down = i & X->Def.Tpow[2*j+1];
div_down = div_down/X->Def.Tpow[2*j+1];
tmp_num_up = num_up;
tmp_num_down = num_down;
if(icheck_loc ==1){
for(ia=0;ia<X->Check.sdim;ia++){
i = ia;
num_up = tmp_num_up;
num_down = tmp_num_down;
icheck_loc=1;
for(j=0;j<(X->Def.Nsite+1)/2;j++){
div_up = i & X->Def.Tpow[2*j];
div_up = div_up/X->Def.Tpow[2*j];
div_down = i & X->Def.Tpow[2*j+1];
div_down = div_down/X->Def.Tpow[2*j+1];

if (div_up^div_down == 0){
icheck_loc = 0; /* if double occupied site exists, break!*/
}
if(X->Def.LocSpn[j] == ITINERANT){
num_up += div_up;
num_down += div_down;
}else{
num_up += div_up;
num_down += div_down;
if(X->Def.Nsite%2==1 && j==(X->Def.Nsite/2)){
icheck_loc= icheck_loc;
}
if (icheck_loc ==1){
list_1_[ja+jb] = ia+ib*ihfbit;
list_2_1_[ia] = ja+1;
list_2_2_[ib] = jb+1;
//printf("DEBUG: ja+jb %lu ja %lu jb %lu ia %lu ib %lu\n",ja+jb,ja,jb,ia,ib);
ja+=1;
else{
icheck_loc = icheck_loc*(div_up^div_down);// exclude doubllly ocupited site
}
}
}
}

if(icheck_loc == 1 && X->Def.LocSpn[X->Def.Nsite/2] != ITINERANT && X->Def.Nsite%2==1){
div_up = ia & X->Def.Tpow[X->Def.Nsite-1];
div_up = div_up/X->Def.Tpow[X->Def.Nsite-1];
div_down = (ib*ihfbit) & X->Def.Tpow[X->Def.Nsite];
div_down = div_down/X->Def.Tpow[X->Def.Nsite];
icheck_loc= icheck_loc*(div_up^div_down);
}

if(num_up+num_down == X->Def.Ne && icheck_loc==1){
list_1_[ja+jb]=ia+ib*ihfbit;
/*
list_2_1_[ia]=ja;
list_2_2_[ib]=jb;
*/
list_2_1_[ia]=ja+1;
list_2_2_[ib]=jb+1;
//printf("DEBUG: rank=%d, list_1[%d]=%d, list_2_1_[%d]=%d, list_2_2_[%d]=%d\n", myrank, ja+jb, list_1_[ja+jb], ia, list_2_1[ia], ib, list_2_2[ib]);
ja+=1;
}
}
}
//printf("XXX ib %lu ja %lu\n",ib,ja);
ja=ja-1;
Expand Down Expand Up @@ -1847,7 +1879,7 @@ void calculate_jb_KondoNConserved(struct BindStruct *X, long unsigned int *list_
all_up = (X->Def.Nsite)/2-all_loc;
all_down = (X->Def.Nsite)/2-all_loc;
}
printf("all_loc %d all_up %d all_down %d Ne %d Nsite %d\n",all_loc,all_up,all_down,X->Def.Ne,X->Def.Nsite);
//printf("all_loc %d all_up %d all_down %d Ne %d Nsite %d\n",all_loc,all_up,all_down,X->Def.Ne,X->Def.Nsite);
if (num_up+num_down==X->Def.Ne-all_loc){
jb += X->Def.Tpow[all_loc];
}
Expand Down

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