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- Status: 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;SCF results depend on the number of MPI processes (007_PW_UPF201_USPP_Fe, nspin=2, kpar>1)
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTStatus: Open.#7824 In deepmodeling/abacus-develop;- Status: 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;- Status: Open.#7815 In deepmodeling/abacus-develop;
- 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;