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Refactor: remove class Local_Orbital_Charge #4570

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pxlxingliang opened this issue Jul 4, 2024 · 1 comment · Fixed by #4569 or #4618
Closed
8 tasks

Refactor: remove class Local_Orbital_Charge #4570

pxlxingliang opened this issue Jul 4, 2024 · 1 comment · Fixed by #4569 or #4618
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The Absolute Zero Reduce the "entropy" of the code to 0

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@pxlxingliang
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Describe the Code Quality Issue

Class Local_Orbital_Charge should be remove from ABACUS codes.

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Task list for Issue attackers (only for developers)

  • Identify the specific code file or section with the code quality issue.
  • Investigate the issue and determine the root cause.
  • Research best practices and potential solutions for the identified issue.
  • Refactor the code to improve code quality, following the suggested solution.
  • Ensure the refactored code adheres to the project's coding standards.
  • Test the refactored code to ensure it functions as expected.
  • Update any relevant documentation, if necessary.
  • Submit a pull request with the refactored code and a description of the changes made.
@pxlxingliang
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Class unkOverlap_lcao is only used in the calculation of berryphase, and member function init(const Grid_Technique& gt, std::complex<double>*** wfc_k_grid, const int nkstot); has an input parameter wfc_k_grid, which is passed by loc->wfc_k_grid when init() is called. While wfc_k_grid is useless, as well as the member function nkdotp_LCAO(), get_lcao_wfc_global_ik() and test().

@pxlxingliang pxlxingliang reopened this Jul 5, 2024
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jul 7, 2024
@pxlxingliang pxlxingliang mentioned this issue Jul 9, 2024
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