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Feature: Should we change the default choice of ks_solver from CG to DAV #5407

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WHUweiqingzhou opened this issue Nov 5, 2024 · 1 comment
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@WHUweiqingzhou
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Background

CG is less efficient than DAV.

Describe the solution you'd like

Please discuss it,

Task list only for developers

  • Notice possible changes of behavior
  • Explain the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi

Notice Possible Changes of Behavior (Reminder only for developers)

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Notice any changes of core modules (Reminder only for developers)

No response

Notice Possible Changes of Core Modules (Reminder only for developers)

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Additional Context

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Task list for Issue attackers (only for developers)

  • Review and understand the proposed feature and its importance.
  • Research on the existing solutions and relevant research articles/resources.
  • Discuss with the team to evaluate the feasibility of implementing the feature.
  • Create a design document outlining the proposed solution and implementation details.
  • Get feedback from the team on the design document.
  • Develop the feature following the agreed design.
  • Write unit tests and integration tests for the feature.
  • Update the documentation to include the new feature.
  • Perform code review and address any issues.
  • Merge the feature into the main branch.
  • Monitor for any issues or bugs reported by users after the feature is released.
  • Address any issues or bugs reported by users and continuously improve the feature.
@Cstandardlib
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Now DAV(dav_subspace) seems to suffer from numerical instability (#5376) in some cases

@mohanchen mohanchen added the Questions Raise your quesiton! We will answer it. label Nov 6, 2024
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