Update out_chg 2 and out_pot 3, and elf#7379

Merged

mohanchen merged 31 commits into

deepmodeling:developfrom

mohanchen:20260524

May 30, 2026

Commits on May 24, 2026

update 18_md examples
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update out_chg 2
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update out_pot function
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feat(module_io): 优化初始电荷密度/势能输出，支持 out_freq_ion 控制和动态文件名
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fix(module_io): 修正 out_freq_ion=0 时初始电荷密度/势能输出逻辑
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fix a bug about out_pot
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fix bugs
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update
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update ELF and add openmp parallel
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update elf
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update elf
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update example reference data
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enable elf for rt-tddft, but results are wrong
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Commits on May 25, 2026

fix elf test
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fix elf test in 03_NAO_multik
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fix output of write_elf
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fix bug
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update potential file, fix bug
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Commits on May 26, 2026

fix elf test in ofdft
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Commits on May 29, 2026

fix: Move write_pot_init to ElecState::init_scf for correct timing
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Remove unused parameters from ElecState::init_scf
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Fix missing io_basic library link in elecstate tests
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update init_scf
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fix
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fix bug
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remove dependence of parameter for write_cube.cpp
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fix bugs
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fix bug
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add a new file init_scf
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update estate tests
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delete useless inclusion
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