HΦ  3.2.0
Functions
PairExHubbard.c File Reference
#include "bitcalc.h"
#include "wrapperMPI.h"
#include "mltplyCommon.h"
#include "mltplyHubbard.h"
#include "mltplyHubbardCore.h"
#include "mltplyMPIHubbard.h"
#include "mltplyMPIHubbardCore.h"
#include "common/setmemory.h"
+ Include dependency graph for PairExHubbard.c:

Go to the source code of this file.

Functions

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

Function Documentation

◆ GetPairExcitedStateHubbard()

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

Calculation of pair excited state for Hubbard 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]Xdefine list to get and put information of calculation
[out]tmp_v0Result v0 = H v1
[in]tmp_v1v0 = H v1

Definition at line 137 of file PairExHubbard.c.

References LargeList::A_spin, BindStruct::Check, child_general_hopp(), child_general_hopp_GetInfo(), BindStruct::Def, GetSplitBitByModel(), LargeList::i_max, DefineList::iCalcModel, CheckList::idim_maxOrg, DefineList::iFlagListModified, LargeList::ihfbit, LargeList::ilft, LargeList::irght, LargeList::isA_spin, BindStruct::Large, list_1, list_1_org, list_1buf_org, list_2_1, list_2_2, MaxMPI_li(), LargeList::mode, myrank, DefineList::NPairExcitationOperator, DefineList::Nsite, DefineList::OrgTpow, DefineList::PairExcitationOperator, DefineList::ParaPairExcitationOperator, DefineList::Tpow, TRUE, X_child_CisAjt_MPIdouble(), X_child_CisAjt_MPIsingle(), X_child_general_hopp_MPIdouble(), X_child_general_hopp_MPIsingle(), and X_CisAjt().

Referenced by GetPairExcitedState().

141  {
142  long unsigned int i,j, idim_maxMPI;
143  long unsigned int irght,ilft,ihfbit;
144  long unsigned int org_isite1,org_isite2,org_sigma1,org_sigma2;
145  long unsigned int tmp_off=0;
146 
147  double complex tmp_trans=0;
148  long int i_max;
149  int tmp_sgn, num1;
150  long int ibit;
151  long unsigned int is, Asum, Adiff;
152  long unsigned int ibitsite1, ibitsite2;
153 
154  // i_max = X->Check.idim_max;
155  i_max = X->Check.idim_maxOrg;
156  if(GetSplitBitByModel(X->Def.Nsite, X->Def.iCalcModel, &irght, &ilft, &ihfbit)!=0){
157  return -1;
158  }
159  X->Large.i_max = i_max;
160  X->Large.irght = irght;
161  X->Large.ilft = ilft;
162  X->Large.ihfbit = ihfbit;
163  X->Large.mode=M_CALCSPEC;
164 // X->Large.mode = M_MLTPLY;
165 
166  double complex *tmp_v1bufOrg;
167  //set size
168 #ifdef MPI
169  idim_maxMPI = MaxMPI_li(X->Check.idim_maxOrg);
170  tmp_v1bufOrg= cd_1d_allocate(idim_maxMPI + 1);
171 #endif // MPI
172 
173  for(i=0;i<X->Def.NPairExcitationOperator;i++){
174  org_isite1 = X->Def.PairExcitationOperator[i][0]+1;
175  org_isite2 = X->Def.PairExcitationOperator[i][2]+1;
176  org_sigma1 = X->Def.PairExcitationOperator[i][1];
177  org_sigma2 = X->Def.PairExcitationOperator[i][3];
178  tmp_trans = X->Def.ParaPairExcitationOperator[i];
179  ibitsite1 = X->Def.OrgTpow[2*org_isite1-2+org_sigma1] ;
180  ibitsite2 = X->Def.OrgTpow[2*org_isite2-2+org_sigma2] ;
181  child_general_hopp_GetInfo(X, org_isite1, org_isite2, org_sigma1, org_sigma2);
182  Asum = X->Large.isA_spin;
183  Adiff = X->Large.A_spin;
184 
185  if(X->Def.iFlagListModified == TRUE // Not to adopt HubbrdNConserved
186  && org_sigma1 != org_sigma2){
187  if (org_isite1 > X->Def.Nsite &&
188  org_isite2 > X->Def.Nsite)
189  {
190  X_child_CisAjt_MPIdouble(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2, -tmp_trans, X, tmp_v0, tmp_v1, tmp_v1bufOrg, list_1_org, list_1buf_org, list_2_1, list_2_2);
191  }
192  else if (org_isite2 > X->Def.Nsite
193  || org_isite1 > X->Def.Nsite)
194  {
195  if(org_isite1 < org_isite2) {
196  X_child_CisAjt_MPIsingle(org_isite1 - 1, org_sigma1, org_isite2 - 1, org_sigma2, -tmp_trans, X, tmp_v0,
197  tmp_v1, tmp_v1bufOrg, list_1_org, list_1buf_org, list_2_1, list_2_2);
198  } else{
199  X_child_CisAjt_MPIsingle(org_isite2 - 1, org_sigma2, org_isite1 - 1, org_sigma1, -conj(tmp_trans), X, tmp_v0,
200  tmp_v1, tmp_v1bufOrg, list_1_org, list_1buf_org, list_2_1, list_2_2); }
201  }
202  else{
203 #pragma omp parallel for default(none) shared(tmp_v0, tmp_v1,stdoutMPI) \
204  firstprivate(i_max, tmp_trans, Asum, Adiff, ibitsite1, ibitsite2, X, list_1_org, list_1, myrank) \
205  private(j, tmp_sgn, tmp_off)
206  for (j = 1; j <= i_max; j++){
207  tmp_sgn=X_CisAjt(list_1_org[j], X, ibitsite1, ibitsite2, Asum, Adiff, &tmp_off);
208  tmp_v0[tmp_off] += tmp_trans * tmp_sgn*tmp_v1[j];
209  }
210  }
211  }
212  else{
213  if (org_isite1 > X->Def.Nsite &&
214  org_isite2 > X->Def.Nsite) {
215  if(org_isite1==org_isite2 && org_sigma1==org_sigma2){//diagonal
216  is = X->Def.Tpow[2 * org_isite1 - 2 + org_sigma1];
217  ibit = (unsigned long int) myrank & is;
218  if( X->Def.PairExcitationOperator[i][4]==0) {
219  if (ibit != is) {
220 #pragma omp parallel for default(none) shared(tmp_v0, tmp_v1) \
221  firstprivate(i_max, tmp_trans) private(j)
222  for (j = 1; j <= i_max; j++) tmp_v0[j] += -tmp_trans * tmp_v1[j];
223  }
224  }
225  else{
226  if (ibit == is) {
227 #pragma omp parallel for default(none) shared(tmp_v0, tmp_v1) \
228  firstprivate(i_max, tmp_trans) private(j)
229  for (j = 1; j <= i_max; j++) tmp_v0[j] += tmp_trans * tmp_v1[j];
230  }
231  }
232  }
233  else{
234  X_child_general_hopp_MPIdouble(org_isite1-1, org_sigma1, org_isite2-1, org_sigma2, -tmp_trans, X, tmp_v0, tmp_v1);
235  }
236  }
237  else if (org_isite2 > X->Def.Nsite || org_isite1 > X->Def.Nsite){
238  if(org_isite1 < org_isite2){
239  X_child_general_hopp_MPIsingle(org_isite1-1, org_sigma1,org_isite2-1, org_sigma2, -tmp_trans, X, tmp_v0, tmp_v1);
240  }
241  else{
242  X_child_general_hopp_MPIsingle(org_isite2-1, org_sigma2, org_isite1-1, org_sigma1, -conj(tmp_trans), X, tmp_v0, tmp_v1);
243  }
244  }
245  else{
246  if(child_general_hopp_GetInfo( X,org_isite1,org_isite2,org_sigma1,org_sigma2)!=0){
247  return -1;
248  }
249  if(org_isite1==org_isite2 && org_sigma1==org_sigma2){
250  is = X->Def.Tpow[2 * org_isite1 - 2 + org_sigma1];
251  if( X->Def.PairExcitationOperator[i][4]==0) {
252 #pragma omp parallel for default(none) shared(list_1, tmp_v0, tmp_v1) firstprivate(i_max, is, tmp_trans) private(num1, ibit)
253  for (j = 1; j <= i_max; j++) {
254  ibit = list_1[j] & is;
255  num1 = (1-ibit / is);
256  tmp_v0[j] += -tmp_trans * num1 * tmp_v1[j];
257  }
258  }
259  else{
260 #pragma omp parallel for default(none) shared(list_1, tmp_v0, tmp_v1) firstprivate(i_max, is, tmp_trans) private(num1, ibit)
261  for (j = 1; j <= i_max; j++) {
262  ibit = list_1[j] & is;
263  num1 = ibit / is;
264  tmp_v0[j] += tmp_trans * num1 * tmp_v1[j];
265  }
266  }
267  }
268  else{
269  child_general_hopp(tmp_v0, tmp_v1,X,tmp_trans);
270  }
271  }
272  }
273  }
274 
275 #ifdef MPI
276  free_cd_1d_allocate(tmp_v1bufOrg);
277 #endif // MPI
278 
279  return TRUE;
280 }
BindStruct::Def
struct DefineList Def
Definision of system (Hamiltonian) etc.
Definition: struct.h:410
LargeList::ihfbit
long unsigned int ihfbit
Used for Ogata-Lin ???
Definition: struct.h:345
X_CisAjt
int X_CisAjt(long unsigned int list_1_j, struct BindStruct *X, long unsigned int is1_spin, long unsigned int is2_spin, long unsigned int sum_spin, long unsigned int diff_spin, long unsigned int *tmp_off)
Compute index of wavefunction of final state.
Definition: mltplyHubbardCore.c:399
DefineList::iFlagListModified
int iFlagListModified
When the Hilbert space of excited state differs from the original one.
Definition: struct.h:217
BindStruct::Large
struct LargeList Large
Variables for Matrix-Vector product.
Definition: struct.h:412
LargeList::mode
int mode
multiply or expectation value.
Definition: struct.h:330
TRUE
#define TRUE
Definition: global.h:26
list_1buf_org
long unsigned int * list_1buf_org
Definition: global.h:54
DefineList::OrgTpow
long unsigned int * OrgTpow
[2 * DefineList::NsiteMPI] malloc in setmem_def().
Definition: struct.h:92
X_child_CisAjt_MPIsingle
double complex X_child_CisAjt_MPIsingle(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, double complex *v1buf, 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)
Hopping term in Hubbard (Kondo) + Canonical ensemble When only site2 is in the inter process region...
Definition: mltplyMPIHubbard.c:572
child_general_hopp
double complex child_general_hopp(double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X, double complex trans)
Compute hopping (canonical)
Definition: mltplyHubbard.c:582
LargeList::A_spin
long unsigned int A_spin
Mask used in the bit oeration.
Definition: struct.h:341
CheckList::idim_maxOrg
unsigned long int idim_maxOrg
The local Hilbert-space dimention of original state for the spectrum.
Definition: struct.h:305
DefineList::Nsite
unsigned int Nsite
Number of sites in the INTRA process region.
Definition: struct.h:56
DefineList::Tpow
long unsigned int * Tpow
[2 * DefineList::NsiteMPI] malloc in setmem_def().
Definition: struct.h:90
LargeList::ilft
long unsigned int ilft
Used for Ogata-Lin ???
Definition: struct.h:344
DefineList::ParaPairExcitationOperator
double complex * ParaPairExcitationOperator
[DefineList::NPairExcitationOperator] Coefficient of pair excitaion operator for spectrum. malloc in setmem_def().
Definition: struct.h:189
GetSplitBitByModel
int GetSplitBitByModel(const int Nsite, const int iCalcModel, long unsigned int *irght, long unsigned int *ilft, long unsigned int *ihfbit)
function of splitting original bit into right and left spaces.
Definition: bitcalc.c:78
list_1_org
long unsigned int * list_1_org
Definition: global.h:53
MaxMPI_li
unsigned long int MaxMPI_li(unsigned long int idim)
MPI wrapper function to obtain maximum unsigned long integer across processes.
Definition: wrapperMPI.c:171
list_2_1
long unsigned int * list_2_1
Definition: global.h:49
X_child_general_hopp_MPIsingle
double complex X_child_general_hopp_MPIsingle(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)
Hopping term in Hubbard (Kondo) + Canonical ensemble When only site2 is in the inter process region...
Definition: mltplyMPIHubbard.c:460
LargeList::i_max
long int i_max
Length of eigenvector.
Definition: struct.h:317
list_1
long unsigned int * list_1
Definition: global.h:47
child_general_hopp_GetInfo
int child_general_hopp_GetInfo(struct BindStruct *X, unsigned long int isite1, unsigned long int isite2, unsigned long int sigma1, unsigned long int sigma2)
Compute mask for bit operation of hopping term.
Definition: mltplyHubbardCore.c:34
DefineList::NPairExcitationOperator
unsigned int NPairExcitationOperator
Number of pair excitaion operator for spectrum.
Definition: struct.h:188
list_2_2
long unsigned int * list_2_2
Definition: global.h:50
X_child_CisAjt_MPIdouble
double complex X_child_CisAjt_MPIdouble(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, double complex *v1buf, 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)
Hopping term in Hubbard + MPI When both site1 and site2 are in the inter process region.
Definition: mltplyMPIHubbard.c:130
DefineList::PairExcitationOperator
int ** PairExcitationOperator
[DefineList::NPairExcitationOperator][5] Indices of pair excitaion operator for spectrum. malloc in setmem_def().
Definition: struct.h:186
LargeList::isA_spin
long unsigned int isA_spin
Mask used in the bit oeration.
Definition: struct.h:346
LargeList::irght
long unsigned int irght
Used for Ogata-Lin ???
Definition: struct.h:343
DefineList::iCalcModel
int iCalcModel
Switch for model. 0:Hubbard, 1:Spin, 2:Kondo, 3:HubbardGC, 4:SpinGC, 5:KondoGC, 6:HubbardNConserved.
Definition: struct.h:198
myrank
int myrank
Process ID, defined in InitializeMPI()
Definition: global.h:163
X_child_general_hopp_MPIdouble
double complex X_child_general_hopp_MPIdouble(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)
Hopping term in Hubbard (Kondo) + Canonical ensemble When both site1 and site2 are in the inter proce...
Definition: mltplyMPIHubbard.c:355
BindStruct::Check
struct CheckList Check
Size of the Hilbert space.
Definition: struct.h:411
+ Here is the call graph for this function:
+ Here is the caller graph for this function:

◆ GetPairExcitedStateHubbardGC()

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

Calculation of pair excited state for Hubbard 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]Xdefine list to get and put information of calculation
[out]tmp_v0Result v0 = H v1
[in]tmp_v1v0 = H v1

Definition at line 37 of file PairExHubbard.c.

References BindStruct::Check, child_general_hopp_GetInfo(), BindStruct::Def, GC_AisCis(), GC_child_general_hopp(), CheckList::idim_maxOrg, myrank, DefineList::NPairExcitationOperator, DefineList::Nsite, DefineList::PairExcitationOperator, DefineList::ParaPairExcitationOperator, DefineList::Tpow, TRUE, X_GC_child_general_hopp_MPIdouble(), and X_GC_child_general_hopp_MPIsingle().

Referenced by GetPairExcitedState().

42  {
43 
44  long unsigned int i,j;
45  long unsigned int isite1;
46  long unsigned int org_isite1,org_isite2,org_sigma1,org_sigma2;
47 
48  double complex tmp_trans=0;
49  long int i_max;
50  long int ibit;
51  long unsigned int is;
52  i_max = X->Check.idim_maxOrg;
53  for(i=0;i<X->Def.NPairExcitationOperator;i++) {
54  org_isite1 = X->Def.PairExcitationOperator[i][0] + 1;
55  org_isite2 = X->Def.PairExcitationOperator[i][2] + 1;
56  org_sigma1 = X->Def.PairExcitationOperator[i][1];
57  org_sigma2 = X->Def.PairExcitationOperator[i][3];
58  tmp_trans = X->Def.ParaPairExcitationOperator[i];
59 
60  if (org_isite1 > X->Def.Nsite &&
61  org_isite2 > X->Def.Nsite) {
62  if (org_isite1 == org_isite2 && org_sigma1 == org_sigma2) {
63  if (X->Def.PairExcitationOperator[i][4] == 0) {
64  if (org_sigma1 == 0) {
65  is = X->Def.Tpow[2 * org_isite1 - 2];
66  }
67  else {
68  is = X->Def.Tpow[2 * org_isite1 - 1];
69  }
70  ibit = (unsigned long int) myrank & is;
71  if (ibit != is) {
72  //minus sign comes from negative tmp_trans due to readdef
73 #pragma omp parallel for default(none) shared(tmp_v0, tmp_v1) \
74  firstprivate(i_max, tmp_trans) private(j)
75  for (j = 1; j <= i_max; j++) tmp_v0[j] += -tmp_trans * tmp_v1[j];
76  }
77  }
78  else {//X->Def.PairExcitationOperator[i][4]==1
79  if (org_sigma1 == 0) {
80  is = X->Def.Tpow[2 * org_isite1 - 2];
81  }
82  else {
83  is = X->Def.Tpow[2 * org_isite1 - 1];
84  }
85  ibit = (unsigned long int) myrank & is;
86  if (ibit == is) {
87 #pragma omp parallel for default(none) shared(tmp_v0, tmp_v1) \
88  firstprivate(i_max, tmp_trans) private(j)
89  for (j = 1; j <= i_max; j++) tmp_v0[j] += tmp_trans * tmp_v1[j];
90  }
91  }
92  }
93  else {
94  X_GC_child_general_hopp_MPIdouble(org_isite1 - 1, org_sigma1, org_isite2 - 1, org_sigma2, -tmp_trans, X,
95  tmp_v0, tmp_v1);
96  }
97  }
98  else if (org_isite2 > X->Def.Nsite || org_isite1 > X->Def.Nsite) {
99  if (org_isite1 < org_isite2) {
100  X_GC_child_general_hopp_MPIsingle(org_isite1 - 1, org_sigma1, org_isite2 - 1, org_sigma2, -tmp_trans, X,
101  tmp_v0, tmp_v1);
102  }
103  else {
104  X_GC_child_general_hopp_MPIsingle(org_isite2 - 1, org_sigma2, org_isite1 - 1, org_sigma1,
105  -conj(tmp_trans), X, tmp_v0, tmp_v1);
106  }
107  }
108  else {
109 
110  if (org_isite1 == org_isite2 && org_sigma1 == org_sigma2 && X->Def.PairExcitationOperator[i][4] == 0) {
111  isite1=X->Def.Tpow[2 * org_isite1 - 2 + org_sigma1];
112 #pragma omp parallel for default(none) private(j) firstprivate(i_max,X,isite1, tmp_trans) shared(tmp_v0, tmp_v1)
113  for(j=1;j<=i_max;j++){
114  GC_AisCis(j, tmp_v0, tmp_v1, X, isite1, -tmp_trans);
115  }
116  }
117  else {
118  if (child_general_hopp_GetInfo(X, org_isite1, org_isite2, org_sigma1, org_sigma2) != 0) {
119  return -1;
120  }
121  GC_child_general_hopp(tmp_v0, tmp_v1, X, tmp_trans);
122  }
123  }
124  }
125  return TRUE;
126 }
BindStruct::Def
struct DefineList Def
Definision of system (Hamiltonian) etc.
Definition: struct.h:410
X_GC_child_general_hopp_MPIdouble
double complex X_GC_child_general_hopp_MPIdouble(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)
Hopping term in Hubbard + GC When both site1 and site2 are in the inter process region.
Definition: mltplyMPIHubbard.c:54
TRUE
#define TRUE
Definition: global.h:26
X_GC_child_general_hopp_MPIsingle
double complex X_GC_child_general_hopp_MPIsingle(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)
Hopping term in Hubbard + GC When only site2 is in the inter process region.
Definition: mltplyMPIHubbard.c:233
CheckList::idim_maxOrg
unsigned long int idim_maxOrg
The local Hilbert-space dimention of original state for the spectrum.
Definition: struct.h:305
DefineList::Nsite
unsigned int Nsite
Number of sites in the INTRA process region.
Definition: struct.h:56
GC_AisCis
double complex GC_AisCis(long unsigned int j, double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X, long unsigned int is1_spin, double complex tmp_trans)
Operation of (Grandcanonical)
Definition: mltplyHubbardCore.c:260
DefineList::Tpow
long unsigned int * Tpow
[2 * DefineList::NsiteMPI] malloc in setmem_def().
Definition: struct.h:90
DefineList::ParaPairExcitationOperator
double complex * ParaPairExcitationOperator
[DefineList::NPairExcitationOperator] Coefficient of pair excitaion operator for spectrum. malloc in setmem_def().
Definition: struct.h:189
child_general_hopp_GetInfo
int child_general_hopp_GetInfo(struct BindStruct *X, unsigned long int isite1, unsigned long int isite2, unsigned long int sigma1, unsigned long int sigma2)
Compute mask for bit operation of hopping term.
Definition: mltplyHubbardCore.c:34
DefineList::NPairExcitationOperator
unsigned int NPairExcitationOperator
Number of pair excitaion operator for spectrum.
Definition: struct.h:188
DefineList::PairExcitationOperator
int ** PairExcitationOperator
[DefineList::NPairExcitationOperator][5] Indices of pair excitaion operator for spectrum. malloc in setmem_def().
Definition: struct.h:186
GC_child_general_hopp
double complex GC_child_general_hopp(double complex *tmp_v0, double complex *tmp_v1, struct BindStruct *X, double complex trans)
Commpute hopping term (grandcanonical)
Definition: mltplyHubbard.c:609
myrank
int myrank
Process ID, defined in InitializeMPI()
Definition: global.h:163
BindStruct::Check
struct CheckList Check
Size of the Hilbert space.
Definition: struct.h:411
+ Here is the call graph for this function:
+ Here is the caller graph for this function: