[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft to source_lcao/module_rdmft and correct some documents (#6344)

* Move module_ri to source_lcao/module_ri

* Modify pathes of file in source_lcao/module_ri

* Fix CMakeFiles in test

* Move module_rdmft to source_lcao/module_rdmft

* Correct documentation

* Line up document

* Fix document about source_relax

Author: Critsium-xy

docs/CONTRIBUTING.md

@@ -71,7 +71,8 @@ For those who are interested in the source code, the following figure shows the
 |   |-- module_dftu             The module for defining the Hamiltonian in DFT+U calculations.
 |   |-- module_gint             The module for performing grid integral in LCAO calculations.
 |   |-- module_hcontainer       The module for storing the Hamiltonian matrix in LCAO calculations.
-|   `-- module_tddft            The module for defining the Hamiltonian in TDDFT calculations.
+|   |-- module_tddft            The module for defining the Hamiltonian in TDDFT calculations.
+|   `-- module_ri               The module for performing RI calculations.
 |-- source_pw            The module for defining the Hamiltonian in PW calculations.
 |   |-- hamilt_ofdft            The module for defining the Hamiltonian in OFDFT calculations.
 |   |-- hamilt_pwdft            The module for defining the Hamiltonian in PW-DFT calculations.
@@ -82,10 +83,7 @@ For those who are interested in the source code, the following figure shows the
 |-- source_io                   The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
 |-- source_md                   The module for performing molecular dynamics.
 |-- source_psi                  The module for defining the wave function and its operations.
-|-- source_relax                The module for performing structural optimization.
-|   |-- relax_new               The module for performing structural optimization with new algorithm, optimized for cell and ion simultaneously.
-|   `-- relax_old               The module for performing structural optimization with old algorithm, optimized for cell and ion separately.
-|-- module_ri                   The module for performing RI calculations.
+`-- source_relax                The module for performing structural optimization, optimized for cell and ion simultaneously.
 ```
 
 ## Submitting an Issue

source/CMakeLists.txt

@@ -14,12 +14,12 @@ add_subdirectory(source_esolver)
 add_subdirectory(source_lcao/module_gint)
 add_subdirectory(source_io)
 add_subdirectory(source_relax)
-add_subdirectory(module_ri)
+add_subdirectory(source_lcao/module_ri)
 add_subdirectory(module_parameter)
 add_subdirectory(module_lr)
 
 # add by jghan
-add_subdirectory(module_rdmft)
+add_subdirectory(source_lcao/module_rdmft)
 
 add_library(
     driver

source/Makefile.Objects

@@ -67,15 +67,15 @@ VPATH=./src_global:\
 ./source_io:\
 ./source_io/json_output:\
 ./src_ri:\
-./module_ri:\
+./source_lcao/module_ri:\
 ./module_parameter:\
 ./module_lr:\
 ./module_lr/ao_to_mo_transformer:\
 ./module_lr/dm_trans:\
 ./module_lr/operator_casida:\
 ./module_lr/potentials:\
 ./module_lr/utils:\
-./module_rdmft:\
+./source_lcao/module_rdmft:\
 ./\
 
 OBJS_ABACUS_PW=${OBJS_MAIN}\

source/module_lr/esolver_lrtd_lcao.h

@@ -20,7 +20,7 @@
 #include "source_lcao/module_gint/temp_gint/gint_info.h"
 #ifdef __EXX
 // #include <RI/physics/Exx.h>
-#include "module_ri/Exx_LRI.h"
+#include "source_lcao/module_ri/Exx_LRI.h"
 #endif
 namespace LR
 {

source/module_lr/hamilt_casida.h

@@ -9,7 +9,7 @@
 #ifdef __EXX
 #include "module_lr/operator_casida/operator_lr_exx.h"
 #include "module_lr/ri_benchmark/operator_ri_hartree.h"
-#include "module_ri/LRI_CV_Tools.h"
+#include "source_lcao/module_ri/LRI_CV_Tools.h"
 #endif
 namespace LR
 {

source/module_lr/operator_casida/operator_lr_exx.h

@@ -2,7 +2,7 @@
 #pragma once
 #include "source_hamilt/operator.h"
 #include "source_estate/module_dm/density_matrix.h"
-#include "module_ri/Exx_LRI.h"
+#include "source_lcao/module_ri/Exx_LRI.h"
 #include "module_lr/utils/lr_util.h"
 namespace LR
 {

source/source_base/abfs-vector3_order.h

@@ -6,7 +6,7 @@
 #ifndef ABFS_VECTOR3_ORDER_H
 #define ABFS_VECTOR3_ORDER_H
 
-#include "module_ri/abfs.h"
+#include "source_lcao/module_ri/abfs.h"
 
 // mohan comment out 2021-02-06
 //#include <boost/archive/binary_oarchive.hpp>

source/source_base/test/abfs-vector3_order_test.cpp

@@ -1,7 +1,7 @@
 #include "source_base/abfs-vector3_order.h"
 #include "source_base/vector3.h"
 #include "gtest/gtest.h"
-#include "module_ri/abfs.h"
+#include "source_lcao/module_ri/abfs.h"
 
 /************************************************
  *  unit test of functions in class Abfs::vector3_order

source/source_cell/bcast_cell.cpp

@@ -2,7 +2,7 @@
 #include "source_base/parallel_common.h"
 #include "module_parameter/parameter.h"
 #ifdef __EXX
-#include "module_ri/serialization_cereal.h"
+#include "source_lcao/module_ri/serialization_cereal.h"
 #include "source_pw/hamilt_pwdft/global.h"
 #endif
 namespace unitcell

source/source_cell/read_atom_species.cpp

@@ -4,7 +4,7 @@
 #include "source_base/tool_title.h"
 #ifdef __EXX
 #include "source_pw/hamilt_pwdft/global.h"
-#include "module_ri/serialization_cereal.h"
+#include "source_lcao/module_ri/serialization_cereal.h"
 #endif
 namespace unitcell
 {