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DSP: OpenBLAS Warning after v3.11.0-beta6
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTCompile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUSGPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesStatus: Open.#7945 In deepmodeling/abacus-develop;Code quality: hamilt::Ekinetic (PW) and hamilt::EKinetic (LCAO) are different class templates differing only by letter case
RefactorRefactor ABACUS codesRefactor ABACUS codesStatus: Open.#7930 In deepmodeling/abacus-develop;[Feature Request] Export density-independent LCAO H0 for HamGNN without SCF iterations
Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsInterfacesInterfaces with other packagesInterfaces with other packagesMachine Learning & AIIssues related to AIIssues related to AIStatus: Open.#7922 In deepmodeling/abacus-develop;Docs: Handle sphinx build warnings and treat warnings as error
Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUSRefactorRefactor ABACUS codesRefactor ABACUS codesStatus: Open.#7915 In deepmodeling/abacus-develop;bug(deltaspin): non-SOC LCAO spin rotation invariance breaks with genelpa
collinear/non-collinear/SOC/delta-spinIssues related to SOCIssues related to SOCQuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7913 In deepmodeling/abacus-develop;Slow Level 1/2 BLAS on device DSP
GPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesPerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSUseful InformationUseful information for others to learn/studyUseful information for others to learn/studyStatus: Open.#7910 In deepmodeling/abacus-develop;A parameter is needed to control whether to output a trajectory file during MD calculations in ABACUS
Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsRefactorRefactor ABACUS codesRefactor ABACUS codesStatus: Open.#7877 In deepmodeling/abacus-develop;[Perf] Low weak-scaling efficiency for DPMD on Sugon DCUs with abacus
PerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7872 In deepmodeling/abacus-develop;[Bug] DeepH loses H-only edges and cannot read current ABACUS CSR/get_s output
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsInterfacesInterfaces with other packagesInterfaces with other packagesMachine Learning & AIIssues related to AIIssues related to AIStatus: Open.#7871 In deepmodeling/abacus-develop;DMK->DMR inverse Fourier sign (e^{-ikR}) and frozen density-matrix conventions for LCAO force/stress
Feature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonStatus: Open.#7834 In deepmodeling/abacus-develop;How can I accelerate an LCAO-based NVT molecular dynamics calculation on CPU nodes?
QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7826 In deepmodeling/abacus-develop;Normalize relax_method as a scalar option and deprecate two-token values
Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsStatus: Open.#7822 In deepmodeling/abacus-develop;