[Refactor] Rename module_hsolver to source_hsolver (#6305)

* Rename module_hsolver to source_hsolver

* Move .dat files into new directory

Author: Critsium-xy

docs/CONTRIBUTING.md

@@ -77,7 +77,7 @@ For those who are interested in the source code, the following figure shows the
 |   |-- hamilt_pwdft            The module for defining the Hamiltonian in PW-DFT calculations.
 |   |   |-- operator_pw         The module for defining the operators in PW-DFT calculations.
 |   `-- hamilt_stodft           The module for defining the Hamiltonian in STODFT calculations.
-|-- module_hsolver              The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW
+|-- source_hsolver              The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW
 |   |                           calculations, and scalapack and genelpa in LCAO calculations.
 |-- module_io                   The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
 |-- module_md                   The module for performing molecular dynamics.

docs/advanced/acceleration/cuda.md

@@ -12,7 +12,7 @@ In ABACUS, we provide the option to use GPU devices to accelerate performance. T
 
 - **Parallel strategy**: K point parallel.
 
-Unlike PW basis, only the grid integration module (module_gint) and the diagonalization of the Hamiltonian matrix (module_hsolver) have been implemented with GPU acceleration under LCAO basis.
+Unlike PW basis, only the grid integration module (module_gint) and the diagonalization of the Hamiltonian matrix (source_hsolver) have been implemented with GPU acceleration under LCAO basis.
 
 ## Required hardware/software
 

python/pyabacus/CMakeLists.txt

@@ -14,7 +14,7 @@ find_package(pybind11 CONFIG REQUIRED)
 set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source")
 set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base")
 set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao")
-set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/module_hsolver")
+set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver")
 set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi")
 set(ENABLE_LCAO ON)
 list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/../../cmake")

python/pyabacus/CONTRIBUTING.md

@@ -74,7 +74,7 @@ find_package(pybind11 CONFIG REQUIRED)
 set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source")
 set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base")
 set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao")
-set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/module_hsolver")
+set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver")
 set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi")
 set(ENABLE_LCAO ON)
 list(APPEND CMAKE_MODULE_PATH "${PROJECT_SOURCE_DIR}/../../cmake")

python/pyabacus/src/hsolver/py_diago_cg.hpp

@@ -14,7 +14,7 @@
 #include <ATen/core/tensor_map.h>
 #include <ATen/core/tensor_types.h>
 
-#include "module_hsolver/diago_cg.h"
+#include "source_hsolver/diago_cg.h"
 #include "module_base/module_device/memory_op.h"
 
 namespace py = pybind11;

python/pyabacus/src/hsolver/py_diago_dav_subspace.hpp

@@ -10,7 +10,7 @@
 #include <pybind11/numpy.h>
 #include <pybind11/stl.h>
 
-#include "module_hsolver/diago_dav_subspace.h"
+#include "source_hsolver/diago_dav_subspace.h"
 
 namespace py = pybind11;
 

python/pyabacus/src/hsolver/py_diago_david.hpp

@@ -10,7 +10,7 @@
 #include <pybind11/numpy.h>
 #include <pybind11/stl.h>
 
-#include "module_hsolver/diago_david.h"
+#include "source_hsolver/diago_david.h"
 
 namespace py = pybind11;
 

python/pyabacus/src/hsolver/py_hsolver.cpp

@@ -5,7 +5,7 @@
 #include <pybind11/complex.h>
 #include <pybind11/numpy.h>
 
-#include "module_hsolver/diago_dav_subspace.h"
+#include "source_hsolver/diago_dav_subspace.h"
 #include "module_base/kernels/math_kernel_op.h"
 #include "module_base/module_device/types.h"
 

source/CMakeLists.txt

@@ -5,7 +5,7 @@ add_subdirectory(module_elecstate)
 add_subdirectory(module_hamilt_general)
 add_subdirectory(module_hamilt_pw)
 add_subdirectory(module_hamilt_lcao)
-add_subdirectory(module_hsolver)
+add_subdirectory(source_hsolver)
 add_subdirectory(module_basis/module_ao)
 add_subdirectory(module_basis/module_nao)
 add_subdirectory(module_md)
@@ -35,8 +35,8 @@ list(APPEND device_srcs
   module_hamilt_pw/hamilt_pwdft/kernels/meta_op.cpp
   module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp
   module_basis/module_pw/kernels/pw_op.cpp
-  module_hsolver/kernels/dngvd_op.cpp
-  module_hsolver/kernels/bpcg_kernel_op.cpp
+  source_hsolver/kernels/dngvd_op.cpp
+  source_hsolver/kernels/bpcg_kernel_op.cpp
   module_elecstate/kernels/elecstate_op.cpp
 
   # module_psi/kernels/psi_memory_op.cpp
@@ -65,8 +65,8 @@ if(USE_CUDA)
     module_hamilt_pw/hamilt_stodft/kernels/cuda/hpsi_norm_op.cu
     module_hamilt_pw/hamilt_pwdft/kernels/cuda/onsite_op.cu
     module_basis/module_pw/kernels/cuda/pw_op.cu
-    module_hsolver/kernels/cuda/dngvd_op.cu
-    module_hsolver/kernels/cuda/bpcg_kernel_op.cu
+    source_hsolver/kernels/cuda/dngvd_op.cu
+    source_hsolver/kernels/cuda/bpcg_kernel_op.cu
     module_elecstate/kernels/cuda/elecstate_op.cu
 
     # module_psi/kernels/cuda/memory_op.cu
@@ -92,8 +92,8 @@ if(USE_ROCM)
     module_hamilt_pw/hamilt_pwdft/kernels/rocm/onsite_op.hip.cu
     module_hamilt_pw/hamilt_stodft/kernels/rocm/hpsi_norm_op.hip.cu
     module_basis/module_pw/kernels/rocm/pw_op.hip.cu
-    module_hsolver/kernels/rocm/dngvd_op.hip.cu
-    module_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu
+    source_hsolver/kernels/rocm/dngvd_op.hip.cu
+    source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu
     module_elecstate/kernels/rocm/elecstate_op.hip.cu
 
     # module_psi/kernels/rocm/memory_op.hip.cu

source/Makefile.Objects

@@ -30,10 +30,10 @@ VPATH=./src_global:\
 ./module_basis/module_pw:\
 ./module_basis/module_pw/module_fft:\
 ./source_esolver:\
-./module_hsolver:\
-./module_hsolver/kernels:\
-./module_hsolver/genelpa:\
-./module_hsolver/module_pexsi:\
+./source_hsolver:\
+./source_hsolver/kernels:\
+./source_hsolver/genelpa:\
+./source_hsolver/module_pexsi:\
 ./module_elecstate:\
 ./module_elecstate/kernels:\
 ./module_elecstate/module_pot:\