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Refactor Interface of hpsi_func in hsolver

Open Cstandardlib opened this issue 1 year ago • 0 comments

Reminder

  • [ ] Have you linked an issue with this pull request?
  • [ ] Have you added adequate unit tests and/or case tests for your pull request?
  • [ ] Have you noticed possible changes of behavior below or in the linked issue?
  • [ ] Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #5178

What's changed?

  • hpsi_func used by dav/dav_subspace will take parameters in (in, out, id_start, id_end) manner.
  • Consequently, the code (including tests) responsible for calling davidson&dav_subspace and 'hpsi_func' construction are also updated to align with these changes.

Note

  • This change does not affect hpsi_func about cg method, taking Tensor-typed parameters.

Cstandardlib avatar Sep 27 '24 05:09 Cstandardlib