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Refactor: Remove LCAO_Deepks from GlobalC. #5844

Merged
merged 3 commits into from
Jan 10, 2025
Merged

Refactor: Remove LCAO_Deepks from GlobalC. #5844

merged 3 commits into from
Jan 10, 2025

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ErjieWu
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@ErjieWu ErjieWu commented Jan 10, 2025

What's changed?

  • Move LCAO_Deepks from GlobalC to ESOLVER_KS_LCAO.
  • Combile save_npy_f() save_npy_s() and save_npy_o() by save_matrix2npy().

@ErjieWu ErjieWu added Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 DeePKS Issues related to the DeePKS labels Jan 10, 2025
@mohanchen mohanchen merged commit 1c30f99 into deepmodeling:develop Jan 10, 2025
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@mohanchen mohanchen mohanchen approved these changes

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