deepmodeling abacus-develop Discussions
Discussions
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You must be logged in to vote Chinese Documents Needed？ 需要中文文档和教程？
Feature DiscussedThe features will be discussed first but will not be implemented soon -
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You must be logged in to vote project Molecular Dynamics trajectory onto a set of phonons
Feature DiscussedThe features will be discussed first but will not be implemented soon -
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You must be logged in to vote project time dependent wavefunction onto ground state wavefunction in TDDFT
Feature DiscussedThe features will be discussed first but will not be implemented soon -
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Feature DiscussedThe features will be discussed first but will not be implemented soon -
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You must be logged in to vote smaller time step cause earlier divergence in TDDFT
BugsBugs that only solvable with sufficient knowledge of DFT -
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You must be logged in to vote Is it reasonable that time cost of diagonalization by scalapack_gvx is 7 times longer than that by genelpa
PerformanceIssues related to fail running ABACUS -
You must be logged in to vote The peak of memory consumption is too high.
BugsBugs that only solvable with sufficient knowledge of DFT -
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