Refactor onsite_proj COMPONENTS and add dspin examples - #7211

Merged

mohanchen merged 22 commits into

deepmodeling:developfrom

mohanchen:refactor2

Apr 8, 2026

Commits on Apr 2, 2026

refactor: remove template parameters from ESolver_KS_PW::prepare_init call
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refactor: remove deallocate_hamilt function
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Commits on Apr 4, 2026

refactor(setup_pot): 移除 p_hamilt 的模板参数，使用 HamiltBase 基类
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style(setup_pot): 将 tab 键替换为空格键，统一代码格式
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Commits on Apr 5, 2026

refactor(onsite_projector): 拆分打印函数到独立文件，使用下划线命名法
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refactor(onsite_projector): 更新 Makefile.Objects，添加 onsite_proj_print.o
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change onsite_projector to onsite_proj
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refactor(pwdft): update onsite_proj_tools.h
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refactor(pwdft): format function parameters in onsite_proj_tools.h
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Merge branch 'develop' into refactor2
mohanchen
authored
update stress_onsite
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add example 99_SCF_DSPIN
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remove run.sh
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remove dspin constrain, remove the GPU/CPU codes for stress in onsite
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Merge remote-tracking branch 'origin/refactor2' into refactor2
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add dspin example in 01_PW
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Fix MODULE_IO_read_item_serial test by updating sc_mag_switch test case
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Commits on Apr 6, 2026

fix bugs, the stress elements are calcualted one by one by GPU/CPU
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Commits on Apr 7, 2026

fix a potential bug in calculating stress of DFT+U or Deltaspin
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rename tests in 11_PW_GPU
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Commits on Apr 8, 2026

update codes, found a bug in DFT+U pw GPU version
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add back bndpar parameter in the BPCG test
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