Three body for general spin

.github/workflows/main.yml

@@ -75,4 +75,79 @@ jobs:
  - name: ctest
  working-directory: ${{runner.workspace}}/build
  shell: bash
- run: ctest -V
+ run: ctest -V -E spinone
+
+ ctest_spinone:
+ runs-on: ${{ matrix.os }}
+
+ strategy:
+ matrix:
+ os: [ubuntu-22.04]
+ mpisize: [1, 3, 9]
+ ompsize: [1, 3]
+ include:
+ - os: macos-13
+ mpisize: 1
+ ompsize: 1
+ - os: macos-latest
+ mpisize: 1
+ ompsize: 1
+ - os: ubuntu-20.04
+ mpisize: 1
+ ompsize: 1
+ exclude:
+ - mpisize: 9
+ ompsize: 3
+ - mpisize: 3
+ ompsize: 3
+ fail-fast: false
+
+ env:
+ MPIRUN: "mpiexec --oversubscribe -np ${{ matrix.mpisize }}"
+ OMP_NUM_THREADS: ${{ matrix.ompsize }}
+
+ steps:
+ - uses: actions/checkout@v4
+
+ - name: apt
+ if: ${{ runner.os == 'Linux' }}
+ run: |
+ sudo apt update
+ sudo apt install liblapack-dev openmpi-bin libopenmpi-dev libscalapack-openmpi-dev
+
+ - name: brew
+ if: ${{ runner.os == 'macOS' }}
+ run: |
+ brew install openmpi scalapack
+
+ - name: Setup Python
+ uses: actions/setup-python@v5
+ with:
+ python-version: "3.11"
+
+ - name: pip
+ run: |
+ python3 -m pip install numpy
+
+ - name: make workspace
+ run: cmake -E make_directory ${{runner.workspace}}/build
+
+ - name: cmake
+ working-directory: ${{runner.workspace}}/build
+ shell: bash
+ run: |
+ if [ ${{ runner.os }} = "macOS" ] ; then
+ export FC=gfortran-12
+ fi
+ cmake -DCMAKE_VERBOSE_MAKEFILE=ON $GITHUB_WORKSPACE
+
+ - name: build
+ working-directory: ${{runner.workspace}}/build
+ shell: bash
+ run: cmake --build ./ -j4
+
+ - name: ctest
+ working-directory: ${{runner.workspace}}/build
+ shell: bash
+ run: ctest -V -R spinone
+

src/expec_cisajscktaltdc.c

@@ -771,6 +771,170 @@ int expec_cisajscktalt_SpinHalf(struct BindStruct *X,double complex *vec, FILE *
  return 0;
 }
 
+/**
+ * @brief Child function to calculate three-body green functions for general Spin GC model
+ *
+ * @param X [in] data list for calculation
+ * @param vec [in] eigenvectors
+ * @param _fp [in] output file name
+ * @retval 0 normally finished
+ * @retval -1 abnormally finished
+ *
+ */
+
+int expec_Threebody_SpinGeneral(struct BindStruct *X,double complex *vec, FILE **_fp){
+ long unsigned int i,j;
+ long unsigned int org_isite1,org_isite2,org_isite3,org_isite4,org_isite5,org_isite6;
+ long unsigned int org_sigma1,org_sigma2,org_sigma3,org_sigma4,org_sigma5,org_sigma6;
+ long unsigned int tmp_org_isite1,tmp_org_isite2,tmp_org_isite3,tmp_org_isite4,tmp_org_isite5,tmp_org_isite6;
+ long unsigned int tmp_org_sigma1,tmp_org_sigma2,tmp_org_sigma3,tmp_org_sigma4,tmp_org_sigma5,tmp_org_sigma6;
+ long unsigned int tmp_off=0;
+ long unsigned int tmp_off_2=0;
+ long unsigned int list1_off=0;
+ int num1;
+ double complex tmp_V;
+ double complex dam_pr;
+ long int i_max;
+ int tmp_Sz;
+ long unsigned int tmp_org=0;
+ double complex *vec_pr;
+ vec[0]=0;
+ i_max=X->Check.idim_max;
+ X->Large.mode=M_CORR;
+
+ vec_pr = cd_1d_allocate(i_max + 1);
+ for(i=0;i<X->Def.NTBody;i++){
+ tmp_org_isite1 = X->Def.TBody[i][0]+1;
+ tmp_org_sigma1 = X->Def.TBody[i][1];
+ tmp_org_isite2 = X->Def.TBody[i][2]+1;
+ tmp_org_sigma2 = X->Def.TBody[i][3];
+ tmp_org_isite3 = X->Def.TBody[i][4]+1;
+ tmp_org_sigma3 = X->Def.TBody[i][5];
+ tmp_org_isite4 = X->Def.TBody[i][6]+1;
+ tmp_org_sigma4 = X->Def.TBody[i][7];
+
+ /*[s]For three body*/ 
+ tmp_org_isite5 = X->Def.TBody[i][8]+1;
+ tmp_org_sigma5 = X->Def.TBody[i][9];
+ tmp_org_isite6 = X->Def.TBody[i][10]+1;
+ tmp_org_sigma6 = X->Def.TBody[i][11];
+ /**/
+ org_isite5 = X->Def.TBody[i][8]+1;
+ org_sigma5 = X->Def.TBody[i][9];
+ org_isite6 = X->Def.TBody[i][10]+1;
+ org_sigma6 = X->Def.TBody[i][11];
+ dam_pr = 0.0;
+
+ /*[s]initialized vec_pr*/
+ #pragma omp parallel for default(none) private(j) firstprivate(i_max) shared(vec_pr)
+ for(j=1;j<=i_max;j++){
+ vec_pr[j] = 0.0+0.0*I;
+ }
+ /*[e]initialized vec_pr*/
+ X->Large.mode = M_MLTPLY;
+ /* |vec_pr>= c5a6|phi>*/
+ mltplyGeneralSpinGC_mini(X,tmp_org_isite5-1,tmp_org_sigma5,tmp_org_isite6-1,tmp_org_sigma6,vec_pr,vec);
+ X->Large.mode = M_CORR;
+ /*[e]For three body*/ 
+
+ if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,3)!=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;
+ }
+ if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
+ if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
+ dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
+ dam_pr=child_GC_CisAisCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
+ dam_pr=child_GC_CisAitCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
+ dam_pr=child_GC_CisAitCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec_pr);
+ }
+ }
+ else if(org_isite3 > X->Def.Nsite || org_isite1 > X->Def.Nsite){
+ if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
+ dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
+ dam_pr=child_GC_CisAisCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
+ dam_pr=child_GC_CisAitCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
+ }
+ else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
+ dam_pr=child_GC_CisAitCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec_pr);
+ }
+ }
+ 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,vec_pr)
+ 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_pr[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,vec_pr)
+ 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_pr[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,vec_pr)
+ 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_pr[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,vec_pr)
+ 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_pr[j];
+ }
+ }
+
+ }
+ }
+ }
+ dam_pr = SumMPI_dc(dam_pr);
+ fprintf(*_fp, " %4ld %4ld %4ld %4ld "
+ " %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, 
+ tmp_org_isite5-1, tmp_org_sigma5, tmp_org_isite6-1, tmp_org_sigma6, 
+ creal(dam_pr),cimag(dam_pr));
+ }
+ free_cd_1d_allocate(vec_pr);
+ return 0;
+}
+
+
+
+
+
 /**
  * @brief Child function to calculate two-body green's functions for General Spin model
  *
@@ -1104,6 +1268,9 @@ int expec_cisajscktalt_SpinGC(struct BindStruct *X,double complex *vec, FILE **_
  }
  } else {
  info=expec_cisajscktalt_SpinGCGeneral(X,vec, _fp);
+ if(X->Def.NTBody>0){
+ info = expec_Threebody_SpinGeneral(X,vec,_fp_2);
+ } 
  }
  return info;
 }
@@ -1546,8 +1713,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  i_max=X->Check.idim_max;
  X->Large.mode=M_CORR;
 
-
- for(i=0;i<X->Def.NCisAjtCkuAlvDC;i++){
+ 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;
@@ -1558,13 +1724,13 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
  dam_pr = 0.0;
 
- if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,2)!=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;
- }
+  if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,2)!=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;
+  }
 
- if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
+  if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
  if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
  dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
  }
@@ -1594,7 +1760,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  }
  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)
+ #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){
@@ -1605,7 +1771,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  }
  }
  }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)
+ #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){
@@ -1616,7 +1782,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  }
  }
  }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)
+ #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){
@@ -1627,7 +1793,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
  }
  }
  }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)
+ #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){

src/include/expec_cisajscktaltdc.h

@@ -69,5 +69,6 @@ void expec_cisajscktaltdc_alldiag_spin(
  double complex *vec
  );
 
+int expec_Threebody_SpinGeneral(struct BindStruct *X,double complex *vec, FILE **_fp);
 int expec_Threebody_SpinGCHalf(struct BindStruct *X,double complex *vec, FILE **_fp);
 int expec_Fourbody_SpinGCHalf(struct BindStruct *X,double complex *vec, FILE **_fp);

src/include/mltplySpin.h

@@ -35,6 +35,16 @@ void mltplyHalfSpinGC_mini(
  double complex *tmp_v1//!<[in] Input producted vector
 );
 
+void mltplyGeneralSpinGC_mini(
+ struct BindStruct *X,//!<[inout]
+ int site_i,
+ int spin_i,
+ int site_j,
+ int spin_j,
+ double complex *tmp_v0,//!<[inout] Result vector
+ double complex *tmp_v1//!<[in] Input producted vector
+);
+
 int mltplySpinGC(struct BindStruct *X, double complex *tmp_v0,double complex *tmp_v1);
 
 int mltplyHalfSpinGC(struct BindStruct *X, double complex *tmp_v0,double complex *tmp_v1);