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Description
Describe the Code Quality Issue
In test of large scale LCAO base case, such as Si512 , the memory record of DMK is unnecessary while DMR is saved at same times.
I recommand to not save DMK if it will not be actually used in post-DFT (especially in gamma_only=1 DMK is same as DMR in physics)
Additional Context
No response
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.