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fix: psi error for large system #6501

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Merged
merged 2 commits into from
Sep 15, 2025
Merged

fix: psi error for large system #6501

merged 2 commits into from
Sep 15, 2025

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@dyzheng
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@dyzheng dyzheng commented Sep 10, 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 added Refactor Refactor ABACUS codes Bugs Bugs that only solvable with sufficient knowledge of DFT labels Sep 11, 2025
@mohanchen mohanchen merged commit c3ff007 into deepmodeling:develop Sep 15, 2025
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kluonj pushed a commit to kluonj/abacus-develop that referenced this pull request Sep 28, 2025
@dyzheng
fix: psi error for large system (deepmodeling#6501)
3fd918f 
* fix: psi error

* fix: type of psi_bias

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Co-authored-by: dyzheng <[email protected]>
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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@dyzheng @mohanchen