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- Status: Open.#7799 In deepmodeling/abacus-develop;
- Status: Open.#7798 In deepmodeling/abacus-develop;
ASE error in GitHub Actions CI
github_actionsPull requests that update GitHub Actions codePull requests that update GitHub Actions codeStatus: Open.#7794 In deepmodeling/abacus-develop;Feature Request: Support arbitrary Libxc hybrid functionals
EXX and lr-TDDFTRelated to EXX or lr-TDDFTRelated to EXX or lr-TDDFTFeatures NeededThe features are indeed needed, and developers should have sophisticated knowledgeThe features are indeed needed, and developers should have sophisticated knowledgeInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsStatus: Open.#7787 In deepmodeling/abacus-develop;ABACUS binary names
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.#7785 In deepmodeling/abacus-develop;- Status: Open.#7780 In deepmodeling/abacus-develop;
- Status: Open.#7775 In deepmodeling/abacus-develop;
[LCAO-HSE] Segmentation fault at the first EXX update after SCF mixing restart
EXX and lr-TDDFTRelated to EXX or lr-TDDFTRelated to EXX or lr-TDDFTInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsQuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7774 In deepmodeling/abacus-develop;[GPU] PW segfaults: 057_PW_SO_IW (SOC init_wfc), 100_PW_W90 (Wannier90), scf_out_ldos (post-SCF)
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTGPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesStatus: Open.#7770 In deepmodeling/abacus-develop;[GPU] Stress deviates 9-16 kbar from CPU during cell relaxation (063-071_PW_CR_*)
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTGPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesStatus: Open.#7769 In deepmodeling/abacus-develop;add option to support feature:
Exit abacus when scf not convergeFeature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonGeometryRelaxationIssues related to geometry relaxationIssues related to geometry relaxationInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsMD & LAMMD and Larege Atomic ModelsMD and Larege Atomic ModelsStatus: Open.#7761 In deepmodeling/abacus-develop;- Status: Open.#7759 In deepmodeling/abacus-develop;