Commit a48a116
Kai Luo
Refactor RDMFT and ESolver classes for improved optimization structure
- Enhanced RDMFT class to support joint optimization on Stiefel manifold and occupation numbers on Euclidean space.
- Introduced RDMFT_Orbital and RDMFT_Occupation classes for separate optimization routes.
- Updated ESolver_DirectMin_LCAO to accommodate new optimization strategies, including hybrid two-level optimization.
- Added comprehensive setup functions for initializing problems and solvers.
- Improved energy and gradient computation methods for better performance.
- Cleaned up includes and organized class members for clarity and maintainability.1 parent 437f71c commit a48a116
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