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Refactor the operators in source_lcao - #7714

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mohanchen wants to merge 20 commits into
deepmodeling:developfrom
mohanchen:2026-07-30-c
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Refactor the operators in source_lcao#7714
mohanchen wants to merge 20 commits into
deepmodeling:developfrom
mohanchen:2026-07-30-c

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@mohanchen

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Reminder

  • I have read AGENTS.md and docs/developers_guide/agent_governance.md.
  • I have linked an issue or explained why this PR does not need one.
  • I have added adequate unit tests and/or case tests, or explained why not.
  • I have listed the exact verification commands run and their results.
  • I have described user-visible behavior changes, including INPUT parameter changes.
  • I have explained core-module impact for ESolver, HSolver, ElecState, Hamilt, Operator, Psi, or other source/ changes.
  • I have requested any needed governance exception below.

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@mohanchen
mohanchen requested a review from AsTonyshment July 30, 2026 14:29
@mohanchen mohanchen added Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 labels Jul 30, 2026
Comment thread source/source_lcao/module_operator_lcao/CMakeLists.txt
Comment thread source/source_lcao/module_operator_lcao/nonlocal.h

@AsTonyshment AsTonyshment left a comment

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LGTM, as long as the comments related to nonlocal pseudopotentials are fixed :)

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Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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