Added projective Wannierization utilities#3
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- Implemented `projective_wannierization` for transforming target bands using seeding states in momentum space. - Added `wannier_projection` for projective wannierization with real-space localized seed states, including Fourier transformation to momentum space. - Included parameter validation and warnings for singular value decomposition (SVD) thresholds.
- Updated `pyproject.toml` to include mypy overrides for the `sympy` module to ignore missing imports. - Modified `tox.ini` to change the mypy command to use `uv run`. - Enhanced type annotations in `wannier.py` for better clarity and type safety. - Added a new test suite in `test_wannier.py` to validate the functionality of the wannierization methods, including edge cases and expected behaviors.
2 tasks
- Renamed `projective_wannierization` to `wannierize_k` and `wannier_projection` to `wannierize_r` for improved clarity. - Updated `tox.ini` to modify the mypy command by removing the tests directory from the command. - Added type stubs for the new function names in `wannier.pyi`. - Adjusted tests in `test_wannier.py` to reflect the new function names and ensure proper validation.
- Introduced `projective_wannierization` to handle automatic seed-space dispatch for wannierization. - Updated type stubs in `wannier.pyi` to include the new function. - Added tests in `test_wannier.py` to validate the functionality and error handling of the new method, ensuring it matches existing wannierization functions.
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See #2
TODO