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Merged
mohanchen merged 1 commit into from
Jul 23, 2026
Merged

fix include headers #7674

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2 changes: 1 addition & 1 deletion source/source_lcao/module_deltaspin/test/basic_test.cpp
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#include "../basic_funcs.h"
#include "source_lcao/module_deltaspin/basic_funcs.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"

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2 changes: 1 addition & 1 deletion source/source_lcao/module_deltaspin/test/lambda_loop_helper_test.cpp
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#include "../spin_constrain.h"
#include "source_lcao/module_deltaspin/spin_constrain.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"

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2 changes: 1 addition & 1 deletion source/source_lcao/module_deltaspin/test/spin_constrain_test.cpp
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#include "../spin_constrain.h"
#include "source_lcao/module_deltaspin/spin_constrain.h"

#include <algorithm>
#include <string>
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2 changes: 1 addition & 1 deletion source/source_lcao/module_deltaspin/test/template_helpers_test.cpp
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#include <algorithm>
#include <string>

#include "../spin_constrain.h"
#include "source_lcao/module_deltaspin/spin_constrain.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"

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4 changes: 2 additions & 2 deletions source/source_lcao/module_hcontainer/test/test_func_folding.cpp
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#include "gtest/gtest.h"
#include "../hcontainer_funcs.h"
#include "../hcontainer.h"
#include "source_lcao/module_hcontainer/hcontainer_funcs.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include <chrono>
#ifdef _OPENMP
#include <omp.h>
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4 changes: 2 additions & 2 deletions source/source_lcao/module_hcontainer/test/test_hcontainer_output.cpp
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#include "../hcontainer.h"
#include "../output_hcontainer.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_lcao/module_hcontainer/output_hcontainer.h"
#include "source_cell/unitcell.h"

#include "gmock/gmock.h"
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4 changes: 2 additions & 2 deletions source/source_lcao/module_hcontainer/test/test_hcontainer_readCSR.cpp
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#include "../hcontainer.h"
#include "../output_hcontainer.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_lcao/module_hcontainer/output_hcontainer.h"
#include "source_io/module_output/csr_reader.h"
#include "prepare_unitcell.h"

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6 changes: 3 additions & 3 deletions source/source_lcao/module_hcontainer/test/test_transfer.cpp
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#include "gtest/gtest.h"
#include "../transfer.h"
#include "../hcontainer.h"
#include "source_lcao/module_hcontainer/transfer.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include <chrono>
#ifdef __MPI
#include <mpi.h>
#include "../hcontainer_funcs.h"
#include "source_lcao/module_hcontainer/hcontainer_funcs.h"
#endif

// test_size is the number of atoms in the unitcell
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12 changes: 6 additions & 6 deletions source/source_lcao/module_ri/ABFs_Construct-PCA.cpp
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#include "ABFs_Construct-PCA.h"

#include "../../source_base/module_external/lapack_connector.h"
#include "../../source_base/global_function.h"
#include "../../source_basis/module_ao/element_basis_index-ORB.h"
#include "../../source_base/matrix.h"
#include "../../source_lcao/module_ri/Matrix_Orbs11.h"
#include "../../source_lcao/module_ri/Matrix_Orbs21.h"
#include "source_base/module_external/lapack_connector.h"
#include "source_base/global_function.h"
#include "source_basis/module_ao/element_basis_index-ORB.h"
#include "source_base/matrix.h"
#include "source_lcao/module_ri/Matrix_Orbs11.h"
#include "source_lcao/module_ri/Matrix_Orbs21.h"

#include <cassert>
#include <limits>
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/ABFs_Construct-PCA.h
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#ifndef ABFS_CONSTRUCT_PCA_H
#define ABFS_CONSTRUCT_PCA_H

#include "../../source_basis/module_ao/ORB_read.h"
#include "source_basis/module_ao/ORB_read.h"
#include "source_cell/unitcell.h"
#include <vector>
#include <RI/global/Tensor.h>
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6 changes: 3 additions & 3 deletions source/source_lcao/module_ri/LRI_CV.hpp
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#include "LRI_CV_Tools.h"
#include "exx_abfs-construct_orbs.h"
#include "RI_Util.h"
#include "../../source_basis/module_ao/element_basis_index-ORB.h"
#include "../../source_base/tool_title.h"
#include "../../source_base/timer.h"
#include "source_basis/module_ao/element_basis_index-ORB.h"
#include "source_base/tool_title.h"
#include "source_base/timer.h"
#include "source_hamilt/module_xc/exx_info_ri.h"
#include <RI/global/Global_Func-1.h>
#include <omp.h>
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/LRI_CV_Tools.hpp
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#ifndef LRI_CV_TOOLS_HPP
#define LRI_CV_TOOLS_HPP

#include "../../source_base/mathzone.h"
#include "source_base/mathzone.h"
#include "Inverse_Matrix.h"
#include "LRI_CV_Tools.h"
#include "RI_Util.h"
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/abfs.h
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#ifndef ABFS_H
#define ABFS_H

#include "../../source_base/vector3.h"
#include "source_base/vector3.h"

#include <set>
#include <vector>
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4 changes: 2 additions & 2 deletions source/source_lcao/module_ri/conv_coulomb_pot_k.cpp
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#include "conv_coulomb_pot_k.h"
#include "../../source_base/constants.h"
#include "source_base/constants.h"
#include "source_io/module_parameter/parameter.h"
#include "../../source_basis/module_ao/ORB_atomic_lm.h"
#include "source_basis/module_ao/ORB_atomic_lm.h"

namespace Conv_Coulomb_Pot_K
{
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/exx_abfs-construct_orbs.h
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#include <limits>
#include <algorithm>
#include "source_cell/unitcell.h"
#include "../../source_basis/module_ao/ORB_atomic_lm.h"
#include "source_basis/module_ao/ORB_atomic_lm.h"

class LCAO_Orbitals;

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6 changes: 3 additions & 3 deletions source/source_lcao/module_ri/exx_abfs-io.cpp
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#include "exx_abfs-io.h"
#include "exx_abfs-jle.h"
#include "../../source_basis/module_ao/ORB_read.h"
#include "../../source_base/global_function.h"
#include "../../source_base/math_integral.h" // mohan add 2021-04-03
#include "source_basis/module_ao/ORB_read.h"
#include "source_base/global_function.h"
#include "source_base/math_integral.h" // mohan add 2021-04-03


std::vector<std::vector<std::vector<Numerical_Orbital_Lm>>> Exx_Abfs::IO::construct_abfs(
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/exx_abfs-io.h
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#include <map>
#include <vector>
#include "../../source_basis/module_ao/ORB_atomic_lm.h"
#include "source_basis/module_ao/ORB_atomic_lm.h"
#include "source_cell/klist.h"
#ifdef __MPI
#include "mpi.h"
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8 changes: 4 additions & 4 deletions source/source_lcao/module_ri/exx_abfs-jle.cpp
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#include "exx_abfs-jle.h"

#include "source_io/module_parameter/parameter.h"
#include "../../source_basis/module_ao/ORB_read.h"
#include "../../source_cell/unitcell.h"
#include "../../source_base/mathzone.h"
#include "../../source_base/math_sphbes.h" // mohan add 2021-05-06
#include "source_basis/module_ao/ORB_read.h"
#include "source_cell/unitcell.h"
#include "source_base/mathzone.h"
#include "source_base/math_sphbes.h" // mohan add 2021-05-06
#include "source_base/tool_title.h"

std::vector<std::vector<std::vector<Numerical_Orbital_Lm>>>
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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/exx_abfs-jle.h
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#include "exx_abfs.h"
#include "source_hamilt/module_xc/exx_info_opt_abfs.h"
#include "../../source_basis/module_ao/ORB_atomic_lm.h"
#include "source_basis/module_ao/ORB_atomic_lm.h"

#include <vector>

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4 changes: 2 additions & 2 deletions source/source_lcao/module_ri/exx_opt_orb.h
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#define EXX_OPT_ORB_H

#include "source_hamilt/module_xc/exx_info_opt_abfs.h"
#include "../../source_base/matrix.h"
#include "../../source_base/element_basis_index.h"
#include "source_base/matrix.h"
#include "source_base/element_basis_index.h"
#include "source_cell/klist.h"
#include "source_basis/module_ao/ORB_read.h"
#include <RI/global/Tensor.h>
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6 changes: 3 additions & 3 deletions source/source_lcao/module_ri/serialization_boost.h
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#include <boost/serialization/set.hpp>
#include <boost/serialization/std::string.hpp>

#include "../../source_base/vector3.h"
#include "source_base/vector3.h"
#include "abfs-vector3_order.h"
#include "../../source_base/matrix.h"
#include "../../source_base/matrix_wrapper.h"
#include "source_base/matrix.h"
#include "source_base/matrix_wrapper.h"

namespace boost
{
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4 changes: 2 additions & 2 deletions source/source_lcao/module_ri/serialization_cereal.h
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#include <cereal/types/string.hpp>
#include <cereal/types/functional.hpp>

#include "../../source_base/vector3.h"
#include "source_base/vector3.h"
#include "abfs-vector3_order.h"
#include "../../source_base/matrix.h"
#include "source_base/matrix.h"



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2 changes: 1 addition & 1 deletion source/source_lcao/module_ri/test/ri_cv_io_test.cpp
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#include <array>
#include <vector>
#include <fstream>
#include "../write_ri_cv.hpp"
#include "source_lcao/module_ri/write_ri_cv.hpp"

using TC = std::array<int, 3>;
using TAC = std::pair<int, TC>;
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