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Minimize-LCAO-Memory: FFT::grid and rho and potential #4216

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@dyzheng

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@dyzheng

Describe the Code Quality Issue

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In test of large scale LCAO base case, such as Si512 , the record of arrays with length nrxx have many different objects.

I guess some of them can be optimized to temporary memory or use other objects' memory.

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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.

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