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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;#7664 destroys the y-component of magnetic moment
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTcollinear/non-collinear/SOCIssues related to SOCIssues related to SOCStatus: Open.#7831 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;Net force (by HSE LCAO) is large
EXX and lr-TDDFTRelated to EXX or lr-TDDFTRelated to EXX or lr-TDDFTStatus: Open.#7817 In deepmodeling/abacus-develop;[Bug]
Eigenvalues are too largeduring calculation of SiC withdav_subspaceBugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTPerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7815 In deepmodeling/abacus-develop;[Bug] nb2d=0 can silently fall back to block size 1 and hang cuBLASMp TRSM in multi-GPU RT-TDDFT
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 ABACUSStatus: Open.#7799 In deepmodeling/abacus-develop;Examples of ABACUS repo need review and enhancement
Features NeededThe features are indeed needed, and developers should have sophisticated knowledgeThe features are indeed needed, and developers should have sophisticated knowledgeTests/ExamplesIssues/PR related to unit tests and integrate testsIssues/PR related to unit tests and integrate testsStatus: 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;CI: LTS container workflow overwrites develop Intel latest image and breaks PEXSI builds
Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUSStatus: Open.#7780 In deepmodeling/abacus-develop;