Code quality improvements#7001
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mohanchen merged 13 commits intodeepmodeling:developfrom Mar 9, 2026
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March 7, 2026 20:13
Replace standard exception handling with project-specific error handling in cell_index.cpp to comply with ABACUS code style guidelines. Changes: - Replace 3 instances of 'throw std::out_of_range' with ModuleBase::WARNING_QUIT in functions: iw2l(), iw2z(), iw2m() - Remove unnecessary #include <stdexcept> - Fix incorrect error message strings in iw2z() and iw2m() (was 'iw2l') This change follows the cpp-code-style skill rule that requires using ModuleBase::WARNING/WARNING_QUIT instead of standard exceptions for error handling in the ABACUS project.
Add const qualifier to all getter and helper member functions in CellIndex class to improve const-correctness according to cpp-code-style skill guidelines. Changes in cell_index.h: - Add const to all public getter functions: get_nat(), get_ntype(), get_nw(), get_iwt(), get_maxL(), get_nchi(), get_atom_label() - Add const to write_orb_info() and change parameter to const reference - Add const to private helper functions: iat2it(), iat2ia(), iw2l(), iw2z(), iw2m() Changes in cell_index.cpp: - Update all function definitions to match header declarations - Change write_orb_info parameter from std::string to const std::string& This follows the ABACUS code style rule that getter functions and functions that do not modify member state should be marked const.
- 在density_matrix.cpp中添加了tool_quit.h头文件 - 将第616行的throw std::string替换为ModuleBase::WARNING_QUIT - 统一了项目的错误处理方式，符合ABACUS代码规范 修改文件： - source/source_estate/module_dm/density_matrix.cpp 影响范围：错误处理流程
- 将泛型lambda [](auto x) 改为 [](double x) - 符合ABACUS项目只支持C++11标准的要求 - Matrix3的元素类型为double，无需泛型 修改文件： - source/source_lcao/module_ri/module_exx_symmetry/symmetry_rotation_output.cpp
Replace standard exception handling with project-specific error handling in restart.cpp to comply with cpp-code-style skill guidelines. Changes: - Replace 4 instances of 'throw std::runtime_error' with ModuleBase::WARNING_QUIT in functions: write_file2() and read_file2() - Remove unnecessary #include <stdexcept> - Add #include "source_base/tool_quit.h" This follows the ABACUS code style rule that requires using ModuleBase::WARNING/WARNING_QUIT instead of standard exceptions.
Replace standard exception handling with project-specific error handling in write_libxc_r.cpp to comply with cpp-code-style skill guidelines. Changes: - Replace 9 instances of throw with ModuleBase::WARNING_QUIT - throw std::domain_error -> WARNING_QUIT - throw std::invalid_argument -> WARNING_QUIT - Remove #include <stdexcept> - Add #include "source_base/tool_quit.h" This follows the ABACUS code style rule that requires using ModuleBase::WARNING/WARNING_QUIT instead of standard exceptions.
- Replace tabs with 4 spaces in md_func.cpp (lines 198-209) - Replace tabs with 4 spaces in md_base.cpp (line 65) - Replace tabs with 4 spaces in run_md.cpp (lines 59-61)
Replace standard exception handling with project-specific error handling in source_io directory to comply with cpp-code-style skill guidelines. Changes: - Replace all instances of throw with ModuleBase::WARNING_QUIT - throw std::runtime_error -> WARNING_QUIT - throw std::logic_error -> WARNING_QUIT - throw std::invalid_argument -> WARNING_QUIT - throw std::domain_error -> WARNING_QUIT - Remove unnecessary #include <stdexcept> - Add #include "source_base/tool_quit.h" where needed Files modified: - module_restart/restart.cpp (4 instances) - module_chgpot/write_libxc_r.cpp (9 instances) - module_wannier/to_wannier90_lcao.h (1 instance) - module_wannier/to_wannier90_lcao_in_pw.h (1 instance) - module_wannier/to_wannier90_pw.h (1 instance) - module_wannier/to_wannier90.cpp (1 instance) - module_unk/berryphase.h (1 instance) - module_parameter/read_input_tool.h (1 instance) - module_parameter/input_conv.cpp (1 instance) This follows the ABACUS code style rule that requires using ModuleBase::WARNING/WARNING_QUIT instead of standard exceptions.
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March 8, 2026 21:37
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