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Fix: Correct LCAO real-space wavefunctions and partial-charge handling - #7868

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mohanchen merged 11 commits into
deepmodeling:developfrom
AsTonyshment:fix/pchg_wfc_lcao
Aug 28, 2026
Merged

Fix: Correct LCAO real-space wavefunctions and partial-charge handling#7868
mohanchen merged 11 commits into
deepmodeling:developfrom
AsTonyshment:fix/pchg_wfc_lcao

Refactor: Simplify LCAO partial-charge and wavefunction output

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Build with Makefile & Intel compilers
succeeded Aug 28, 2026 in 3m 22s