[Refactor] Shorten verbose names in module_gint (deepmodeling#7336)

* [Refactor] Shorten verbose function names in module_gint

Drop redundant verb prefixes and noise tokens: transfer_hr_gint_to_hR ->
hr_gint_to_hR, transfer_dm_2d_to_gint -> dm_2d_to_gint, *_sparseMatrix ->
*_sparse, init_atom_pair_start_end_idx_ -> init_atom_pair_idx_,
get_max_atoms_num_per_bgrid -> get_max_atoms_per_bgrid. Pure rename, no
behavior change.

Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>

* [Refactor] Shorten verbose member names in module_gint

Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>

---------

Co-authored-by: Claude Opus 4.7 (1M context) <noreply@anthropic.com>

Author: dzzz2001

source/source_lcao/module_gint/batch_biggrid.cpp

@@ -6,7 +6,7 @@ namespace ModuleGint
 int BatchBigGrid::max_batch_size_ = 0;
 int BatchBigGrid::max_atoms_num_ = 0;
 int BatchBigGrid::max_phi_len_ = 0;
-int BatchBigGrid::max_atom_pairs_num_ = 0;
+int BatchBigGrid::max_atom_pairs_ = 0;
 
 BatchBigGrid::BatchBigGrid(std::vector<std::shared_ptr<BigGrid>> biggrids)
 {
@@ -19,14 +19,14 @@ BatchBigGrid::BatchBigGrid(std::vector<std::shared_ptr<BigGrid>> biggrids)
         {
             max_nw_ = std::max(max_nw_, atom->get_nw());
         }
-        max_atoms_num_per_bgrid_ = std::max(max_atoms_num_per_bgrid_, biggrid->get_atoms_num());
+        max_atoms_per_bgrid_ = std::max(max_atoms_per_bgrid_, biggrid->get_atoms_num());
         atoms_num_ += biggrid->get_atoms_num();
         atom_pairs_num += std::pow(biggrid->get_atoms_num(), 2);
         phi_len_ += biggrid->get_phi_len() * biggrid->get_mgrids_num();
     }
     max_atoms_num_ = std::max(max_atoms_num_, atoms_num_);
     max_phi_len_ = std::max(max_phi_len_, phi_len_);
-    max_atom_pairs_num_ = std::max(max_atom_pairs_num_, atom_pairs_num);
+    max_atom_pairs_ = std::max(max_atom_pairs_, atom_pairs_num);
 }
 
 

source/source_lcao/module_gint/batch_biggrid.h

@@ -16,12 +16,12 @@ class BatchBigGrid
     int get_batch_size() const { return biggrids_.size(); }
     int get_atoms_num() const { return atoms_num_; }
     int get_phi_len() const { return phi_len_;}
-    int get_max_atoms_num_per_bgrid() const { return max_atoms_num_per_bgrid_; }
+    int get_max_atoms_per_bgrid() const { return max_atoms_per_bgrid_; }
     bool empty() {return atoms_num_ == 0; }
     static int get_max_batch_size() { return max_batch_size_; }
     static int get_max_atoms_num() { return max_atoms_num_; }
     static int get_max_phi_len() { return max_phi_len_; }
-    static int get_max_atom_pairs_num() { return max_atom_pairs_num_; }
+    static int get_max_atom_pairs_num() { return max_atom_pairs_; }
     static std::shared_ptr<const BigGridInfo> get_bgrid_info() { return BigGrid::get_bgrid_info(); }
 
     private:
@@ -35,7 +35,7 @@ class BatchBigGrid
     int atoms_num_ = 0;
 
     // the max number of atoms of a single biggrid
-    int max_atoms_num_per_bgrid_ = 0;
+    int max_atoms_per_bgrid_ = 0;
 
     // the max number of biggrids of a biggrids batch
     static int max_batch_size_;
@@ -44,7 +44,7 @@ class BatchBigGrid
     // the max number of total wavefunctions of a biggrids batch
     static int max_phi_len_;
     // the max number of atom pairs of a biggrids batch
-    static int max_atom_pairs_num_;
+    static int max_atom_pairs_;
 };
 
 }

source/source_lcao/module_gint/big_grid.cpp

@@ -45,10 +45,10 @@ void BigGrid::set_atoms_phi_len(std::vector<int>& phi_len) const
 void BigGrid::set_mgrids_coord(std::vector<Vec3d>& coord) const
 {
     coord.resize(biggrid_info_->get_mgrids_num());
-    Vec3d this_bgrid_coord = localcell_info_->get_bgrid_global_coord_3D(idx_);
+    Vec3d bgrid_coord = localcell_info_->get_bgrid_global_coord_3D(idx_);
     for(int im = 0; im < biggrid_info_->get_mgrids_num(); ++im)
     {
-        coord[im] = biggrid_info_->get_mgrid_coord(im) + this_bgrid_coord;
+        coord[im] = biggrid_info_->get_mgrid_coord(im) + bgrid_coord;
     }
 }
 
@@ -83,14 +83,14 @@ void BigGrid::set_atom_relative_coords(const Vec3i bgrid_idx, const Vec3d tau_in
     Vec3i this_bgrid_idx = localcell_info_->get_bgrid_global_idx_3D(idx_);
 
     // the relative coordinates of this big grid and the atom
-    Vec3d bgrid_relative_coord 
+    Vec3d bgrid_rcoord 
         = unitcell_info_->get_relative_coord(bgrid_idx, this_bgrid_idx) + tau_in_bgrid;
 
     atom_coord.resize(biggrid_info_->get_mgrids_num());
     for(int im = 0; im < biggrid_info_->get_mgrids_num(); ++im)
     {
         const Vec3d& mgrid_coord = biggrid_info_->get_mgrid_coord(im);
-        atom_coord[im] = mgrid_coord - bgrid_relative_coord;
+        atom_coord[im] = mgrid_coord - bgrid_rcoord;
     }
 }
 

source/source_lcao/module_gint/biggrid_info.cpp

@@ -16,33 +16,33 @@ BigGridInfo::BigGridInfo(
       biggrid_vec3_(biggrid_vec3),
       nmx_(nmx), nmy_(nmy), nmz_(nmz), nmxyz_(nmx*nmy*nmz)
     {
-        // initialize the biggrid_latvec0_
-        biggrid_latvec0_.e11 = biggrid_vec1_.x;
-        biggrid_latvec0_.e12 = biggrid_vec1_.y;
-        biggrid_latvec0_.e13 = biggrid_vec1_.z;
+        // initialize the bgrid_latvec0_
+        bgrid_latvec0_.e11 = biggrid_vec1_.x;
+        bgrid_latvec0_.e12 = biggrid_vec1_.y;
+        bgrid_latvec0_.e13 = biggrid_vec1_.z;
 
-        biggrid_latvec0_.e21 = biggrid_vec2_.x;
-        biggrid_latvec0_.e22 = biggrid_vec2_.y;
-        biggrid_latvec0_.e23 = biggrid_vec2_.z;
+        bgrid_latvec0_.e21 = biggrid_vec2_.x;
+        bgrid_latvec0_.e22 = biggrid_vec2_.y;
+        bgrid_latvec0_.e23 = biggrid_vec2_.z;
 
-        biggrid_latvec0_.e31 = biggrid_vec3_.x;
-        biggrid_latvec0_.e32 = biggrid_vec3_.y;
-        biggrid_latvec0_.e33 = biggrid_vec3_.z;
+        bgrid_latvec0_.e31 = biggrid_vec3_.x;
+        bgrid_latvec0_.e32 = biggrid_vec3_.y;
+        bgrid_latvec0_.e33 = biggrid_vec3_.z;
 
         // initialize the GT matrix
-        biggrid_GT_ = biggrid_latvec0_.Inverse();
+        biggrid_GT_ = bgrid_latvec0_.Inverse();
 
         // initialize the meshgrid_info_
         meshgrid_info_ = std::make_shared<MeshGridInfo>(
             biggrid_vec1_ / static_cast<double>(nmx),
             biggrid_vec2_ / static_cast<double>(nmy),
             biggrid_vec3_ / static_cast<double>(nmz));
 
-        // initialize the meshgrid_coords_
-        meshgrid_coords_.resize(nmxyz_);
+        // initialize the mgrid_coords_
+        mgrid_coords_.resize(nmxyz_);
         for(int index_1d = 0; index_1d < nmxyz_; index_1d++)
         {
-            meshgrid_coords_[index_1d] = 
+            mgrid_coords_[index_1d] = 
                 meshgrid_info_->get_cartesian_coord(mgrid_idx_1Dto3D(index_1d));
         }
         ModuleBase::Memory::record("BigGridInfo::meshgrid_coords", (long long)nmxyz_ * sizeof(Vec3d), true);

source/source_lcao/module_gint/biggrid_info.h

@@ -24,8 +24,8 @@ class BigGridInfo
 
         ~BigGridInfo();
 
-        Vec3d get_cartesian_coord(const Vec3d& index_3d) const { return index_3d * biggrid_latvec0_; }
-        Vec3d get_cartesian_coord(const Vec3i& index_3d) const { return index_3d * biggrid_latvec0_; }
+        Vec3d get_cartesian_coord(const Vec3d& index_3d) const { return index_3d * bgrid_latvec0_; }
+        Vec3d get_cartesian_coord(const Vec3i& index_3d) const { return index_3d * bgrid_latvec0_; }
         Vec3d get_direct_coord(const Vec3d& cart_coord) const { return cart_coord * biggrid_GT_; }
 
         // Return the maximum number of big grids that can fit inside a sphere of radius r,
@@ -38,8 +38,8 @@ class BigGridInfo
         int get_nmz() const { return nmz_; }
         int get_mgrids_num() const { return nmxyz_; }
 
-        const std::vector<Vec3d>& get_mgrids_coord() const { return meshgrid_coords_; }
-        const Vec3d& get_mgrid_coord(int index_1d) const { return meshgrid_coords_[index_1d]; }
+        const std::vector<Vec3d>& get_mgrids_coord() const { return mgrid_coords_; }
+        const Vec3d& get_mgrid_coord(int index_1d) const { return mgrid_coords_[index_1d]; }
 
         std::shared_ptr<const MeshGridInfo> get_mgrid_info() const { return meshgrid_info_; }
 
@@ -63,12 +63,12 @@ class BigGridInfo
 
         // used to convert the (i, j, k) index of the big grid to the Cartesian coordinate
         // if biggrid_vec1_ is row vector,
-        // then biggrid_latvec0_ = [biggrid_vec1_; biggrid_vec2_; biggrid_vec3_],
-        // (i, j, k) * biggrid_latvec0_ = (x, y, z)
-        Matrix3 biggrid_latvec0_;
+        // then bgrid_latvec0_ = [biggrid_vec1_; biggrid_vec2_; biggrid_vec3_],
+        // (i, j, k) * bgrid_latvec0_ = (x, y, z)
+        Matrix3 bgrid_latvec0_;
 
         // used to convert the Cartesian coordinate to the (i, j, k) index of the big grid
-        // biggrid_GT_ = biggrid_latvec0_.Inverse()
+        // biggrid_GT_ = bgrid_latvec0_.Inverse()
         // (x, y, z) * biggrid_GT_ = (i, j, k)
         Matrix3 biggrid_GT_;
 
@@ -95,7 +95,7 @@ class BigGridInfo
 
         // store the relative Cartesian coordinates of all meshgrids in the biggrid
         // the size of vector is nbxyz_
-        std::vector<Vec3d> meshgrid_coords_;
+        std::vector<Vec3d> mgrid_coords_;
 };
 
 } // namespace ModuleGint

source/source_lcao/module_gint/gint_common.cpp

@@ -113,10 +113,10 @@ void compose_hr_gint(HContainer<T>& hr_gint)
 }
 
 template <typename T>
-void transfer_hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR)
+void hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR)
 {
-    ModuleBase::TITLE("Gint", "transfer_hr_gint_to_hR");
-    ModuleBase::timer::start("Gint", "transfer_hr_gint_to_hR");
+    ModuleBase::TITLE("Gint", "hr_gint_to_hR");
+    ModuleBase::timer::start("Gint", "hr_gint_to_hR");
 #ifdef __MPI
     int size = 0;
     MPI_Comm_size(MPI_COMM_WORLD, &size);
@@ -131,7 +131,7 @@ void transfer_hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR)
 #else
     hR.add(hr_gint);
 #endif
-    ModuleBase::timer::end("Gint", "transfer_hr_gint_to_hR");
+    ModuleBase::timer::end("Gint", "hr_gint_to_hR");
 }
 
 
@@ -258,7 +258,7 @@ void merge_hr_part_to_hR(const std::vector<hamilt::HContainer<double>>& hr_gint_
 
 
 
-// C++11-compatible helpers for transfer_dm_2d_to_gint:
+// C++11-compatible helpers for dm_2d_to_gint:
 // SFINAE (enable_if) to select same-type vs cross-type code paths at compile time.
 
 // Same-type path (TGint == TDM): transfer directly
@@ -294,13 +294,13 @@ gather_dm(const HContainer<TDM>& dm_src, HContainer<TGint>& dm_dst,
 // gint_info should not have been a parameter, but it was added to initialize dm_gint_full
 // In the future, we might try to remove the gint_info parameter
 template<typename TGint, typename TDM>
-void transfer_dm_2d_to_gint(
+void dm_2d_to_gint(
     const GintInfo& gint_info,
     const std::vector<HContainer<TDM>*>& dm,
     std::vector<HContainer<TGint>>& dm_gint)
 {
-    ModuleBase::TITLE("Gint", "transfer_dm_2d_to_gint");
-    ModuleBase::timer::start("Gint", "transfer_dm_2d_to_gint");
+    ModuleBase::TITLE("Gint", "dm_2d_to_gint");
+    ModuleBase::timer::start("Gint", "dm_2d_to_gint");
 
     if (PARAM.inp.nspin != 4)
     {
@@ -368,7 +368,7 @@ void transfer_dm_2d_to_gint(
         delete dm2d_tmp;
 #endif
     }
-    ModuleBase::timer::end("Gint", "transfer_dm_2d_to_gint");
+    ModuleBase::timer::end("Gint", "dm_2d_to_gint");
 }
 
 int globalIndex(int localindex, int nblk, int nprocs, int myproc)
@@ -480,10 +480,10 @@ void wfc_2d_to_gint(const T* wfc_2d,
 
 template void compose_hr_gint(HContainer<double>& hr_gint);
 template void compose_hr_gint(HContainer<float>& hr_gint);
-template void transfer_hr_gint_to_hR(
+template void hr_gint_to_hR(
     const HContainer<double>& hr_gint,
     HContainer<double>& hR);
-template void transfer_hr_gint_to_hR(
+template void hr_gint_to_hR(
     const HContainer<std::complex<double>>& hr_gint,
     HContainer<std::complex<double>>& hR);
 template void cast_hcontainer_values(
@@ -494,15 +494,15 @@ template void cast_hcontainer_values(
     HContainer<double>& dst);
 template HContainer<float> make_cast_hcontainer(const HContainer<double>& src);
 template HContainer<double> make_cast_hcontainer(const HContainer<float>& src);
-template void transfer_dm_2d_to_gint(
+template void dm_2d_to_gint(
     const GintInfo& gint_info,
     const std::vector<HContainer<double>*>& dm,
     std::vector<HContainer<double>>& dm_gint);
-template void transfer_dm_2d_to_gint(
+template void dm_2d_to_gint(
     const GintInfo& gint_info,
     const std::vector<HContainer<double>*>& dm,
     std::vector<HContainer<float>>& dm_gint);
-template void transfer_dm_2d_to_gint(
+template void dm_2d_to_gint(
     const GintInfo& gint_info,
     const std::vector<HContainer<std::complex<double>>*>& dm,
     std::vector<HContainer<std::complex<double>>>& dm_gint);

source/source_lcao/module_gint/gint_common.h

@@ -16,14 +16,14 @@ namespace ModuleGint
 
 
     template <typename T>
-    void transfer_hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR);
+    void hr_gint_to_hR(const HContainer<T>& hr_gint, HContainer<T>& hR);
     // for nspin=4 case
     void merge_hr_part_to_hR(const std::vector<hamilt::HContainer<double>>& hr_gint_tmp ,
                          hamilt::HContainer<std::complex<double>>* hR,
                          const GintInfo& gint_info);
 
     template<typename TGint, typename TDM>
-    void transfer_dm_2d_to_gint(
+    void dm_2d_to_gint(
         const GintInfo& gint_info,
         const std::vector<HContainer<TDM>*>& dm,
         std::vector<HContainer<TGint>>& dm_gint);