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- Status: Open.#1028 In jinzhezenggroup/vibeqc;
- Status: Open.#1027 In jinzhezenggroup/vibeqc;
feat(dft): track degenerate open-shell UKS occupations without root flipping
area:dftDFT quadrature, exchange-correlation functionals, KS methods, and forces.DFT quadrature, exchange-correlation functionals, KS methods, and forces.area:scfHF/KS self-consistent-field solvers, state, convergence, and preparation.HF/KS self-consistent-field solvers, state, convergence, and preparation.Status: Open.#1002 In jinzhezenggroup/vibeqc;perf(batch): pool Direct J/K work across molecules into one device task queue
area:backendsTarget portability, compiler/runtime providers, and architecture profiles.Target portability, compiler/runtime providers, and architecture profiles.area:cudaCUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.CUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.area:scfHF/KS self-consistent-field solvers, state, convergence, and preparation.HF/KS self-consistent-field solvers, state, convergence, and preparation.kind:performanceMeasured performance, resource, or compilation improvements.Measured performance, resource, or compilation improvements.Status: Open.#992 In jinzhezenggroup/vibeqc;perf(scf): warm-start occupied-subspace eigensolves with strict dense fallback
area:cudaCUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.CUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.area:scfHF/KS self-consistent-field solvers, state, convergence, and preparation.HF/KS self-consistent-field solvers, state, convergence, and preparation.kind:performanceMeasured performance, resource, or compilation improvements.Measured performance, resource, or compilation improvements.kind:researchExploratory algorithmic work with explicit baselines and uncertain outcomes.Exploratory algorithmic work with explicit baselines and uncertain outcomes.Status: Open.#991 In jinzhezenggroup/vibeqc;perf(scf): add safeguarded ΔD incremental Direct J/K with strict full rebuilds
area:cudaCUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.CUDA kernels, execution graphs, queues, and NVIDIA runtime behavior.area:scfHF/KS self-consistent-field solvers, state, convergence, and preparation.HF/KS self-consistent-field solvers, state, convergence, and preparation.kind:performanceMeasured performance, resource, or compilation improvements.Measured performance, resource, or compilation improvements.kind:researchExploratory algorithmic work with explicit baselines and uncertain outcomes.Exploratory algorithmic work with explicit baselines and uncertain outcomes.Status: Open.#990 In jinzhezenggroup/vibeqc;- Status: Open.#949 In jinzhezenggroup/vibeqc;
- Status: Open.#945 In jinzhezenggroup/vibeqc;
- Status: Open.#934 In jinzhezenggroup/vibeqc;
- Status: Open.#933 In jinzhezenggroup/vibeqc;
- Status: Open.#932 In jinzhezenggroup/vibeqc;
- Status: Open.#930 In jinzhezenggroup/vibeqc;