Update out_chg 2 and out_pot 3, and elf#7379
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added 4 commits
May 24, 2026 15:00
- 添加 gen_ini_filename() 辅助函数，统一生成初始电荷密度/势能文件名 - out_freq_ion=0 时输出单个固定名称文件（不带 g#） - out_freq_ion>0 时每个几何步输出独立文件（带 g#） - 更新文档，说明两种模式的区别 修改文件： - docs/advanced/output_files/output-specification.md - source/source_io/module_chgpot/write_init.cpp - source/source_io/module_chgpot/write_init.h - source/source_io/module_parameter/read_input_item_output.cpp
mohanchen
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Input&Output
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May 24, 2026 16:06
- out_freq_ion=0 时，每个几何步都输出（覆盖同一个文件） - out_freq_ion>0 时，只在 istep 是 out_freq_ion 倍数时输出 - 更新所有相关文档和注释 修改文件： - docs/advanced/output_files/output-specification.md - source/source_io/module_chgpot/write_init.cpp - source/source_io/module_chgpot/write_init.h - source/source_io/module_parameter/read_input_item_output.cpp
mohanchen
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Fix #6502