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Symptom: estate directly includes concrete basis implementations (dftu.h, spin_constrain.h, gint, module_rt, structure_factor.h, vnl_pw.h, parallel_grid.h, …), while lcao→estate and pw→estate also hold — a large bidirectional cycle.
Fix: push "how to compute density/potential under a given basis" down into the method layer — pw/lcao each derive an ElecState subclass; estate keeps only the base class and shared logic. The direction converges to one-way pw/lcao → estate.
Acceptance: cut estate → pw/lcao.
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.
Describe the Code Quality Issue
dftu.h,spin_constrain.h,gint,module_rt,structure_factor.h,vnl_pw.h,parallel_grid.h, …), whilelcao→estateandpw→estatealso hold — a large bidirectional cycle.pw/lcaoeach derive anElecStatesubclass; estate keeps only the base class and shared logic. The direction converges to one-waypw/lcao → estate.estate → pw/lcao.Additional Context
No response
Task list for Issue attackers (only for developers)