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Support for nspin>1 in DeePKS should be added in the future. #6092

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Support for nspin>1 in DeePKS should be added in the future.#6092
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mohanchenErjieWu
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Features NeededThe features are indeed needed, and developers should have sophisticated knowledgeMachine Learning & AIIssues related to AI

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@ErjieWu
ErjieWu
opened on Apr 1, 2025

Background

In DeePKS, the functions for nspin=2 has not been carefully checked and has no integral test. Also, nspin=4 is not supported now.

Describe the solution you'd like

Support for different nspin value should be added in the future.

Activity

  1. ErjieWu
    changed the title [-]Support for nspin>1 in DeePKS should be check.[/-] [+]Support for nspin>1 in DeePKS should be added in the future.[/+] on Apr 1, 2025
  2. ErjieWu
    self-assigned this
    on Apr 1, 2025
  3. mohanchen
    added
    Machine Learning & AIIssues related to AI
    Features NeededThe features are indeed needed, and developers should have sophisticated knowledge
    on Apr 2, 2025
  4. goodchong
    assigned
    mohanchen
    on Mar 3, 2026
  5. deepmodeling
    locked and limited conversation to collaborators on Mar 17, 2026
  6. mohanchen
    converted this issue into a discussion #7034 on Mar 17, 2026
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