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remove vector<vector> in bfgs and remove const number #6613

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Merged
merged 4 commits into from
Oct 18, 2025
Merged

remove vector<vector> in bfgs and remove const number #6613

merged 4 commits into from
Oct 18, 2025

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@19hello 19hello commented Oct 17, 2025

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  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

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@mohanchen mohanchen merged commit 2df3712 into deepmodeling:develop Oct 18, 2025
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@mohanchen mohanchen added Refactor Refactor ABACUS codes GeometryRelaxation Issues related to geometry relaxation labels Oct 18, 2025
kluonj pushed a commit to kluonj/abacus-develop that referenced this pull request Oct 21, 2025
@19hello @mohanchen
remove vector<vector> in bfgs and remove const number (deepmodeling#6613
2ed07f1 
)

* fix relax_method parameter bug

* remove vector<vector> in bfgs and remove const number

* remove vector<vector> in bfgs and remove const number

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Co-authored-by: Fei Yang <2501213217@stu.pku.edu.cn>
Co-authored-by: Mohan Chen <mohanchen@pku.edu.cn>
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GeometryRelaxation Issues related to geometry relaxation Refactor Refactor ABACUS codes

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@19hello @mohanchen