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Rename module_io to source_io
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docs/CONTRIBUTING.md

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@@ -79,7 +79,7 @@ For those who are interested in the source code, the following figure shows the
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| `-- hamilt_stodft The module for defining the Hamiltonian in STODFT calculations.
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|-- source_hsolver The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW
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| | calculations, and scalapack and genelpa in LCAO calculations.
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|-- module_io The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
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|-- source_io The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
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|-- source_md The module for performing molecular dynamics.
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|-- source_psi The module for defining the wave function and its operations.
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|-- source_relax The module for performing structural optimization.

docs/advanced/json/json_add.md

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@@ -145,7 +145,7 @@ AbacusJson::add_json({"Json","key6","key7",3}, "cp2k", false);
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The current code structure of JSON functionality in Abacus is roughly as follows:
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- source/module_io
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- source/source_io
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- para_json.cpp: Contains JSON generation and output interfaces directly called by the device in Abacus.
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- json_output/: Contains the functionality encapsulation class `abacusjson.cpp` of RapidJSON in Abacus and code classes for parameter generation in various JSON modules.
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- test: Code testing files in `json_output`.
@@ -160,7 +160,7 @@ In Abacus JSON addition, the following principles need to be followed:
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3. Use classes as function parameters as much as possible instead of using global classes for obtained parameters. (For example, in `gen_general_info`, `Input`)
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4. After adding parameters, supplement test code in `module_io/json_output/test`.
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4. After adding parameters, supplement test code in `source_io/json_output/test`.
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For the current JSON file, there are two JSON modules: `init` and `general_info`, `output_info`.
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Taking `general_info` as an example, the code to be added is as follows:

source/CMakeLists.txt

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@@ -12,7 +12,7 @@ add_subdirectory(source_md)
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add_subdirectory(source_basis/module_pw)
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add_subdirectory(source_esolver)
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add_subdirectory(source_lcao/module_gint)
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add_subdirectory(module_io)
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add_subdirectory(source_io)
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add_subdirectory(source_relax)
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add_subdirectory(module_ri)
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add_subdirectory(module_parameter)

source/Makefile.Objects

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@@ -63,8 +63,8 @@ VPATH=./src_global:\
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./source_lcao/module_gint:\
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./source_relax:\
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./source_hamilt/module_vdw:\
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./module_io:\
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./module_io/json_output:\
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./source_io:\
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./source_io/json_output:\
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./src_ri:\
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./module_ri:\
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./module_parameter:\

source/module_lr/esolver_lrtd_lcao.cpp

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@@ -8,9 +8,9 @@
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#include "module_lr/lr_spectrum.h"
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#include <memory>
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#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
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#include "module_io/read_wfc_nao.h"
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#include "module_io/cube_io.h"
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#include "module_io/print_info.h"
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#include "source_io/read_wfc_nao.h"
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#include "source_io/cube_io.h"
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#include "source_io/print_info.h"
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#include "source_cell/module_neighbor/sltk_atom_arrange.h"
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#include "module_lr/utils/lr_util_print.h"
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#include "source_base/scalapack_connector.h"

source/module_lr/potentials/xc_kernel.cpp

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@@ -6,7 +6,7 @@
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#include "module_lr/utils/lr_util_xc.hpp"
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#include <set>
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#include <chrono>
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#include "module_io/cube_io.h"
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#include "source_io/cube_io.h"
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#ifdef USE_LIBXC
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#include <xc.h>
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#include "source_hamilt/module_xc/xc_functional_libxc.h"

source/module_lr/utils/test/CMakeLists.txt

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@@ -3,7 +3,7 @@ AddTest(
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TARGET lr_util_phys_test
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LIBS parameter base ${math_libs} device container planewave #for FFT
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SOURCES lr_util_physics_test.cpp ../lr_util.cpp
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../../../module_io/orb_io.cpp
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../../../source_io/orb_io.cpp
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)
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AddTest(

source/module_ri/Exx_LRI_interface.hpp

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@@ -10,8 +10,8 @@
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#include "source_base/parallel_common.h"
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#include "source_base/formatter.h"
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#include "module_io/csr_reader.h"
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#include "module_io/write_HS_sparse.h"
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#include "source_io/csr_reader.h"
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#include "source_io/write_HS_sparse.h"
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#include "source_estate/elecstate_lcao.h"
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#include <sys/time.h>

source/module_ri/module_exx_symmetry/test/CMakeLists.txt

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@@ -6,5 +6,5 @@ AddTest(
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LIBS base ${math_libs} device symmetry neighbor parameter
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SOURCES symmetry_rotation_test.cpp ../symmetry_rotation.cpp ../irreducible_sector.cpp ../irreducible_sector_bvk.cpp
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../../../source_basis/module_ao/parallel_orbitals.cpp
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../../../module_io/output.cpp
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../../../source_io/output.cpp
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)

source/source_base/module_device/device.h

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@@ -38,13 +38,13 @@ std::string get_device_info(std::string device_flag);
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/**
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* @brief Get the device kpar object
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* for module_io GlobalV::KPAR
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* for source_io GlobalV::KPAR
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*/
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int get_device_kpar(const int& kpar, const int& bndpar);
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/**
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* @brief Get the device flag object
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* for module_io PARAM.inp.device
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* for source_io PARAM.inp.device
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*/
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std::string get_device_flag(const std::string& device,
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const std::string& basis_type);

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