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Use vector to replace int *ngk in psi class #5754

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8 tasks
haozhihan opened this issue Dec 24, 2024 · 0 comments
Open
8 tasks

Use vector to replace int *ngk in psi class #5754

haozhihan opened this issue Dec 24, 2024 · 0 comments
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Refactor Refactor ABACUS codes

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@haozhihan
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Describe the Code Quality Issue

In the psi class, the origin code use int *ngk to point to an array that stores different k-point basis sizes.

We should use vector for storage.

Additional Context

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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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Labels
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