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Further Dirac speedup #19

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certik opened this issue Oct 20, 2023 · 0 comments
Open
3 tasks

Further Dirac speedup #19

certik opened this issue Oct 20, 2023 · 0 comments

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@certik
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certik commented Oct 20, 2023

TODO:

  • Faster eigensolver for the benchmark #18
  • The S matrix depends on kappa (it's an integral which contains r^(2*alpha)), but it doesn't change between SCF iterations; So we should precompute S(kappa) and factorize it (LU or similar); then in each SCF iteration only compute regular eigenproblem
  • Once previous point is done, investigate if Gauss-Lobatto can be used to obtain a diagonal S, which would speedup the application of factorized S, similarly as the Schroedinger solver
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