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  • Introduced KEDF_Manager class to encapsulate KEDF functionalities, replacing individual KEDF instances (TF, VW, WT, LKT, ML) in ESolver_OF.
  • Updated ESolver_OF to initialize and utilize KEDF_Manager for potential, energy, energy density, and stress calculations.

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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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sunliang98 and others added 3 commits July 1, 2025 21:27
- Introduced KEDF_Manager class to encapsulate KEDF functionalities, replacing individual KEDF instances (TF, VW, WT, LKT, ML) in ESolver_OF.
- Updated ESolver_OF to initialize and utilize KEDF_Manager for potential, energy, energy density, and stress calculations.
@mohanchen mohanchen added Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 labels Jul 2, 2025
@mohanchen mohanchen merged commit 47bfd69 into deepmodeling:develop Jul 2, 2025
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@sunliang98 sunliang98 deleted the of_refactor branch July 2, 2025 15:22
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Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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