Add PD regression tests, QE 7.4.1 update, and documentation#7
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Hiroto-Saito1 wants to merge 3 commits intowannier-utils-dev:feature/projectability-disentanglementfrom
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Add dis_window_projectability() for defining disentanglement windows from AMN projectability instead of energy windows. Expose the feature via -P/--projectability-disentangle CLI flag and the projectability_disentangle constructor parameter. Also upgrade the bundled pw2wannier90 source from QE 7.0 to QE 7.4.1, which supports atom_proj combined with irr_bz. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Add comprehensive regression tests for the Fe SW+PD (irr_bz + atom_proj + projectability disentanglement) workflow covering input metadata, projectability windows, little-group covariance, U-matrix unitarity, and end-to-end numerical health. Improve test fixtures: add gz-aware input copying, configurable tmp directory via SYMWANNIER_PYTEST_BASETEMP, win_overrides support, and fast/slow pytest markers. Translate all test docstrings to English. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Expand README with detailed installation instructions, atom_proj usage, and -P option documentation. Add tests/README.md with instructions for running the test suite. Add .gitignore for __pycache__/. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
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Summary
pw2wannier90.f90source to QE 7.4.1 and add projectability validation (NaN/inf/negative checks) inWannierize.__init__SYMWANNIER_PYTEST_BASETEMP,win_overridessupport, andfast/slowpytest markersatom_projusage, and-Poption documentationTest plan
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