Rename hphi and sphi to hpsi and spsi

Author: Cstandardlib

source/source_hsolver/diago_dav_subspace.cpp

@@ -51,12 +51,12 @@ Diago_DavSubspace<T, Device>::Diago_DavSubspace(const std::vector<Real>& precond
     setmem_complex_op()(this->psi_in_iter, 0, this->nbase_x * this->dim);
 
     // the product of H and psi in the reduced psi set
-    resmem_complex_op()(this->hphi, this->nbase_x * this->dim, "DAV::hphi");
-    setmem_complex_op()(this->hphi, 0, this->nbase_x * this->dim);
+    resmem_complex_op()(this->hpsi, this->nbase_x * this->dim, "DAV::hpsi");
+    setmem_complex_op()(this->hpsi, 0, this->nbase_x * this->dim);
 
     // the product of S and psi in the reduced psi set
-    resmem_complex_op()(this->sphi, this->nbase_x * this->dim, "DAV::sphi");
-    setmem_complex_op()(this->sphi, 0, this->nbase_x * this->dim);
+    resmem_complex_op()(this->spsi, this->nbase_x * this->dim, "DAV::spsi");
+    setmem_complex_op()(this->spsi, 0, this->nbase_x * this->dim);
 
     // Hamiltonian on the reduced psi set
     resmem_complex_op()(this->hcc, this->nbase_x * this->nbase_x, "DAV::hcc");
@@ -87,8 +87,8 @@ Diago_DavSubspace<T, Device>::~Diago_DavSubspace()
 {
     delmem_complex_op()(this->psi_in_iter);
 
-    delmem_complex_op()(this->hphi);
-    delmem_complex_op()(this->sphi);
+    delmem_complex_op()(this->hpsi);
+    delmem_complex_op()(this->spsi);
     delmem_complex_op()(this->hcc);
     delmem_complex_op()(this->scc);
     delmem_complex_op()(this->vcc);
@@ -138,14 +138,14 @@ int Diago_DavSubspace<T, Device>::diag_once(const HPsiFunc& hpsi_func,
 
     // compute h*psi_in_iter
     // NOTE: bands after the first n_band should yield zero
-    // hphi[:, 0:nbase_x] = H * psi_in_iter[:, 0:nbase_x]
-    hpsi_func(this->psi_in_iter, this->hphi, this->dim, this->notconv);
+    // hpsi[:, 0:nbase_x] = H * psi_in_iter[:, 0:nbase_x]
+    hpsi_func(this->psi_in_iter, this->hpsi, this->dim, this->notconv);
 
     // compute s*psi_in_iter
-    // sphi[:, 0:nbase_x] = S * psi_in_iter[:, 0:nbase_x]
-    spsi_func(this->psi_in_iter, this->sphi, this->dim, this->notconv);
+    // spsi[:, 0:nbase_x] = S * psi_in_iter[:, 0:nbase_x]
+    spsi_func(this->psi_in_iter, this->spsi, this->dim, this->notconv);
 
-    this->cal_elem(this->dim, nbase, this->notconv, this->psi_in_iter, this->sphi, this->hphi, this->hcc, this->scc);
+    this->cal_elem(this->dim, nbase, this->notconv, this->psi_in_iter, this->spsi, this->hpsi, this->hcc, this->scc);
 
     this->diag_zhegvx(nbase, this->notconv, this->hcc, this->scc, this->nbase_x, &eigenvalue_iter, this->vcc);
 
@@ -168,8 +168,8 @@ int Diago_DavSubspace<T, Device>::diag_once(const HPsiFunc& hpsi_func,
                        nbase,
                        this->notconv,
                        this->psi_in_iter,
-                       this->hphi,
-                       this->sphi,
+                       this->hpsi,
+                       this->spsi,
                        this->vcc,
                        unconv.data(),
                        &eigenvalue_iter);
@@ -178,8 +178,8 @@ int Diago_DavSubspace<T, Device>::diag_once(const HPsiFunc& hpsi_func,
                        nbase,
                        this->notconv,
                        this->psi_in_iter,
-                       this->sphi,
-                       this->hphi,
+                       this->spsi,
+                       this->hpsi,
                        this->hcc,
                        this->scc);
 
@@ -252,8 +252,8 @@ int Diago_DavSubspace<T, Device>::diag_once(const HPsiFunc& hpsi_func,
                               nbase,
                               eigenvalue_in_hsolver,
                               this->psi_in_iter,
-                              this->hphi,
-                              this->sphi,
+                              this->hpsi,
+                              this->spsi,
                               this->hcc,
                               this->scc,
                               this->vcc);
@@ -276,7 +276,7 @@ void Diago_DavSubspace<T, Device>::cal_grad(const HPsiFunc& hpsi_func,
                                             const int& nbase,
                                             const int& notconv,
                                             T* psi_iter,
-                                            T* hphi,
+                                            T* hpsi,
                                             T* spsi,
                                             T* vcc,
                                             const int* unconv,
@@ -304,7 +304,7 @@ void Diago_DavSubspace<T, Device>::cal_grad(const HPsiFunc& hpsi_func,
                          notconv,
                          nbase,
                          this->one,
-                         hphi,
+                         hpsi,
                          this->dim,
                          vcc,
                          this->nbase_x,
@@ -334,7 +334,7 @@ void Diago_DavSubspace<T, Device>::cal_grad(const HPsiFunc& hpsi_func,
          notconv,
          nbase,
          this->one,
-         sphi,
+         spsi,
          this->dim,
          vcc,
          this->nbase_x,
@@ -393,8 +393,8 @@ void Diago_DavSubspace<T, Device>::cal_grad(const HPsiFunc& hpsi_func,
 
     // update hpsi[:, nbase:nbase+notconv]
     // hpsi[:, nbase:nbase+notconv] = H * psi_iter[:, nbase:nbase+notconv]
-    hpsi_func(psi_iter + nbase * dim, hphi + nbase * this->dim, this->dim, notconv);
-    spsi_func(psi_iter + nbase * dim, sphi + nbase * this->dim, this->dim, notconv);
+    hpsi_func(psi_iter + nbase * dim, hpsi + nbase * this->dim, this->dim, notconv);
+    spsi_func(psi_iter + nbase * dim, spsi + nbase * this->dim, this->dim, notconv);
 
     ModuleBase::timer::tick("Diago_DavSubspace", "cal_grad");
     return;
@@ -406,7 +406,7 @@ void Diago_DavSubspace<T, Device>::cal_elem(const int& dim,
                                             const int& notconv,
                                             const T* psi_iter,
                                             const T* spsi,
-                                            const T* hphi,
+                                            const T* hpsi,
                                             T* hcc,
                                             T* scc)
 {
@@ -425,7 +425,7 @@ void Diago_DavSubspace<T, Device>::cal_elem(const int& dim,
          this->one,
          psi_iter,
          this->dim,
-         &hphi[nbase * this->dim],
+         &hpsi[nbase * this->dim],
          this->dim,
          this->zero,
          &hcc[nbase * this->nbase_x],
@@ -660,8 +660,8 @@ void Diago_DavSubspace<T, Device>::refresh(const int& dim,
                                            const Real* eigenvalue_in_hsolver,
                                            //    const psi::Psi<T, Device>& psi,
                                            T* psi_iter,
-                                           T* hphi,
-                                           T* sphi,
+                                           T* hpsi,
+                                           T* spsi,
                                            T* hcc,
                                            T* scc,
                                            T* vcc)
@@ -679,16 +679,16 @@ void Diago_DavSubspace<T, Device>::refresh(const int& dim,
                          nband,
                          nbase,
                          this->one,
-                         this->hphi,
+                         this->hpsi,
                          this->dim,
                          this->vcc,
                          this->nbase_x,
                          this->zero,
                          psi_iter + nband * this->dim,
                          this->dim);
 
-    // update hphi
-    syncmem_complex_op()(hphi, psi_iter + nband * this->dim, this->dim * nband);
+    // update hpsi
+    syncmem_complex_op()(hpsi, psi_iter + nband * this->dim, this->dim * nband);
 
 #ifdef __DSP
     ModuleBase::gemm_op_mt<T, Device>()
@@ -701,16 +701,16 @@ void Diago_DavSubspace<T, Device>::refresh(const int& dim,
          nband,
          nbase,
          this->one,
-         this->sphi,
+         this->spsi,
          this->dim,
          this->vcc,
          this->nbase_x,
          this->zero,
          psi_iter + nband * this->dim,
          this->dim);
 
-    // update sphi
-    syncmem_complex_op()(sphi, psi_iter + nband * this->dim, this->dim * nband);
+    // update spsi
+    syncmem_complex_op()(spsi, psi_iter + nband * this->dim, this->dim * nband);
 
     nbase = nband;
 

source/source_hsolver/diago_dav_subspace.h

@@ -80,10 +80,10 @@ class Diago_DavSubspace
     T* psi_in_iter = nullptr;
 
     /// the product of H and psi in the reduced basis set
-    T* hphi = nullptr;
+    T* hpsi = nullptr;
 
     /// the product of S and psi in the reduced basis set
-    T* sphi = nullptr;
+    T* spsi = nullptr;
 
     /// Hamiltonian on the reduced basis
     T* hcc = nullptr;
@@ -108,7 +108,7 @@ class Diago_DavSubspace
                   const int& nbase,
                   const int& notconv,
                   T* psi_iter,
-                  T* hphi,
+                  T* hpsi,
                   T* spsi,
                   T* vcc,
                   const int* unconv,
@@ -118,8 +118,8 @@ class Diago_DavSubspace
                   int& nbase,
                   const int& notconv,
                   const T* psi_iter,
-                  const T* sphi,
-                  const T* hphi,
+                  const T* spsi,
+                  const T* hpsi,
                   T* hcc,
                   T* scc);
 
@@ -128,8 +128,8 @@ class Diago_DavSubspace
                  int& nbase,
                  const Real* eigenvalue,
                  T* psi_iter,
-                 T* hphi,
-                 T* sphi,
+                 T* hpsi,
+                 T* spsi,
                  T* hcc,
                  T* scc,
                  T* vcc);