Renamd hamilt_ofdft

Author: Critsium-xy

CMakeLists.txt

@@ -737,7 +737,7 @@ target_link_libraries(
   hamilt_general
   hamilt_pwdft
   module_ofdft
-  hamilt_stodft
+  module_stodft
   psi
   psi_initializer
   psi_overall_init

docs/CONTRIBUTING.md

@@ -77,7 +77,7 @@ For those who are interested in the source code, the following figure shows the
 |   |-- module_ofdft            The module for defining the Hamiltonian in OFDFT calculations.
 |   |-- 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_stodft           The module for defining the Hamiltonian in STODFT calculations.
 |-- 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.
 |-- source_io                   The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.

source/CMakeLists.txt

@@ -33,7 +33,7 @@ list(APPEND device_srcs
   source_pw/hamilt_pwdft/kernels/veff_op.cpp
   source_pw/hamilt_pwdft/kernels/ekinetic_op.cpp
   source_pw/hamilt_pwdft/kernels/meta_op.cpp
-  source_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp
+  source_pw/module_stodft/kernels/hpsi_norm_op.cpp
   source_basis/module_pw/kernels/pw_op.cpp
   source_hsolver/kernels/dngvd_op.cpp
   source_hsolver/kernels/bpcg_kernel_op.cpp
@@ -62,7 +62,7 @@ if(USE_CUDA)
     source_pw/hamilt_pwdft/kernels/cuda/veff_op.cu
     source_pw/hamilt_pwdft/kernels/cuda/ekinetic_op.cu
     source_pw/hamilt_pwdft/kernels/cuda/meta_op.cu
-    source_pw/hamilt_stodft/kernels/cuda/hpsi_norm_op.cu
+    source_pw/module_stodft/kernels/cuda/hpsi_norm_op.cu
     source_pw/hamilt_pwdft/kernels/cuda/onsite_op.cu
     source_basis/module_pw/kernels/cuda/pw_op.cu
     source_hsolver/kernels/cuda/dngvd_op.cu
@@ -90,7 +90,7 @@ if(USE_ROCM)
     source_pw/hamilt_pwdft/kernels/rocm/ekinetic_op.hip.cu
     source_pw/hamilt_pwdft/kernels/rocm/meta_op.hip.cu
     source_pw/hamilt_pwdft/kernels/rocm/onsite_op.hip.cu
-    source_pw/hamilt_stodft/kernels/rocm/hpsi_norm_op.hip.cu
+    source_pw/module_stodft/kernels/rocm/hpsi_norm_op.hip.cu
     source_basis/module_pw/kernels/rocm/pw_op.hip.cu
     source_hsolver/kernels/rocm/dngvd_op.hip.cu
     source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu

source/Makefile.Objects

@@ -48,11 +48,11 @@ VPATH=./src_global:\
 ./source_hamilt/module_xc/kernels:\
 ./source_pw/hamilt_pwdft:\
 ./source_pw/module_ofdft:\
-./source_pw/hamilt_stodft:\
+./source_pw/module_stodft:\
 ./source_pw/hamilt_pwdft/operator_pw:\
 ./source_pw/hamilt_pwdft/kernels:\
 ./source_pw/hamilt_pwdft/module_exx_helper:\
-./source_pw/hamilt_stodft/kernels:\
+./source_pw/module_stodft/kernels:\
 ./source_lcao/module_hcontainer:\
 ./source_lcao/hamilt_lcaodft:\
 ./source_lcao/module_rt:\

source/source_esolver/esolver_sdft_pw.cpp

@@ -3,10 +3,10 @@
 #include "source_base/global_variable.h"
 #include "source_base/memory.h"
 #include "source_estate/module_charge/symmetry_rho.h"
-#include "source_pw/hamilt_stodft/sto_dos.h"
-#include "source_pw/hamilt_stodft/sto_elecond.h"
-#include "source_pw/hamilt_stodft/sto_forces.h"
-#include "source_pw/hamilt_stodft/sto_stress_pw.h"
+#include "source_pw/module_stodft/sto_dos.h"
+#include "source_pw/module_stodft/sto_elecond.h"
+#include "source_pw/module_stodft/sto_forces.h"
+#include "source_pw/module_stodft/sto_stress_pw.h"
 #include "source_hsolver/diago_iter_assist.h"
 #include "module_parameter/parameter.h"
 

source/source_esolver/esolver_sdft_pw.h

@@ -2,10 +2,10 @@
 #define ESOLVER_SDFT_PW_H
 
 #include "esolver_ks_pw.h"
-#include "source_pw/hamilt_stodft/hamilt_sdft_pw.h"
-#include "source_pw/hamilt_stodft/sto_che.h"
-#include "source_pw/hamilt_stodft/sto_iter.h"
-#include "source_pw/hamilt_stodft/sto_wf.h"
+#include "source_pw/module_stodft/hamilt_sdft_pw.h"
+#include "source_pw/module_stodft/sto_che.h"
+#include "source_pw/module_stodft/sto_iter.h"
+#include "source_pw/module_stodft/sto_wf.h"
 
 namespace ModuleESolver
 {

source/source_hsolver/hsolver_pw_sdft.h

@@ -1,8 +1,8 @@
 #ifndef HSOLVERPW_SDFT_H
 #define HSOLVERPW_SDFT_H
 #include "hsolver_pw.h"
-#include "source_pw/hamilt_stodft/hamilt_sdft_pw.h"
-#include "source_pw/hamilt_stodft/sto_iter.h"
+#include "source_pw/module_stodft/hamilt_sdft_pw.h"
+#include "source_pw/module_stodft/sto_iter.h"
 namespace hsolver
 {
 template <typename T, typename Device = base_device::DEVICE_CPU>

source/source_hsolver/test/hsolver_supplementary_mock.h

@@ -94,7 +94,7 @@ void Potential::cal_fixed_v(double* vl_pseudo)
 } // namespace elecstate
 
 // mock of Stochastic_WF
-#include "source_pw/hamilt_stodft/sto_wf.h"
+#include "source_pw/module_stodft/sto_wf.h"
 template <typename T, typename Device>
 Stochastic_WF<T, Device>::Stochastic_WF()
 {

source/source_pw/CMakeLists.txt

@@ -1,3 +1,3 @@
 add_subdirectory(hamilt_pwdft)
 add_subdirectory(module_ofdft)
-add_subdirectory(hamilt_stodft)
+add_subdirectory(module_stodft)

source/source_pw/hamilt_stodft/CMakeLists.txt renamed to source/source_pw/module_stodft/CMakeLists.txt

@@ -12,13 +12,13 @@ list(APPEND hamilt_stodft_srcs
 )
 
 add_library(
-    hamilt_stodft
+    module_stodft
     OBJECT
     ${hamilt_stodft_srcs}
 )
 
 if(ENABLE_COVERAGE)
-  add_coverage(hamilt_stodft)
+  add_coverage(module_stodft)
 endif()
 
 if(BUILD_TESTING)