Refactor&Test: Share RT-TDDFT velocity gauge projector snap integration and add unit test by AsTonyshment · Pull Request #7539 · deepmodeling/abacus-develop

AsTonyshment · 2026-06-30T10:24:20Z

Refactor RT-TDDFT velocity-gauge beta projector snap integration into a shared projector-grid integration helper. Getting ready for DeePKS.
Add configurable radial and Lebedev-Laikov quadrature options while keeping the production default at the existing 110-point angular grid.
Add unit tests comparing zero-vector-potential grid integration against two-center integrals for both 110-point and 590-point Lebedev-Laikov grids.

AsTonyshment added 2 commits June 30, 2026 17:57

Refactor: Share RT-TDDFT projector snap integration

5fdb47b

Docs: Comment RT-TDDFT projector snap integration

813cb5a

AsTonyshment requested review from Copilot and mohanchen and removed request for Copilot June 30, 2026 10:24

Copilot started reviewing on behalf of AsTonyshment June 30, 2026 10:25 View session

mohanchen approved these changes Jul 1, 2026

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mohanchen added Refactor Refactor ABACUS codes Machine Learning & AI Issues related to AI labels Jul 1, 2026

mohanchen merged commit 51e2074 into deepmodeling:develop Jul 1, 2026
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