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Inexact Krylov methods and adaptive response #1098

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@mfherbst mfherbst commented May 16, 2025

Will superseed #1027 and #737:

  • Preconditioned GMRES implementation ok ?
  • Factor of 2 next to fn in Bonan's implementation ?
  • Balanced strategy: For the orbital term lower bound we should not use the total Nocc
  • Think about what happens if we use q ≠ 0. Are things ok ?
  • Testing: A more challenging test case (e.g. aluminium ?)
  • Use default SCF mixing as preconditioner
  • Cleanup code a bit more
  • Nicer print formatting
  • Example

@mfherbst mfherbst marked this pull request as draft May 16, 2025 14:01
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