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Feature: output magnetic moment, polar Angle and azimuth Angle for each atom (From abacusmodeling:#302) #3865

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dyzheng opened this issue Apr 1, 2024 · 0 comments · Fixed by #4600
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Input&Output Suitable for coders without knowing too many DFT details

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@dyzheng
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dyzheng commented Apr 1, 2024

Background

abacusmodeling#302

Describe the solution you'd like

...

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)

No response

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

No response

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

No response

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.
@dyzheng dyzheng added the Feature Discussed The features will be discussed first but will not be implemented soon label Apr 1, 2024
@mohanchen mohanchen self-assigned this Apr 3, 2024
@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details and removed Feature Discussed The features will be discussed first but will not be implemented soon labels May 5, 2024
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