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  1. .gitattributes +10 -0
  2. 1_data_prepare/data/disp-07/reconstruction/aohamiltonian/hamiltonians.h5 +3 -0
  3. 1_data_prepare/data/disp-07/reconstruction/aohamiltonian/overlaps.h5 +3 -0
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  11. 1_data_prepare/data/disp-08/reconstruction/aohamiltonian/rh.h5 +3 -0
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  15. 1_data_prepare/data/disp-14/reconstruction/aohamiltonian/overlaps.h5 +3 -0
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  18. 1_data_prepare/data/disp-14/scf/VSC +3 -0
  19. 1_data_prepare/data/disp-14/scf/diamond.save/charge-density.dat +3 -0
  20. 1_data_prepare/data/disp-33/reconstruction/aohamiltonian/hamiltonians.h5 +3 -0
  21. 1_data_prepare/data/disp-33/reconstruction/aohamiltonian/overlaps.h5 +3 -0
  22. 1_data_prepare/data/disp-33/reconstruction/aohamiltonian/rc.h5 +3 -0
  23. 1_data_prepare/data/disp-33/reconstruction/aohamiltonian/rh.h5 +3 -0
  24. 1_data_prepare/data/disp-33/scf/VSC +3 -0
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  26. 1_data_prepare/data/disp-36/reconstruction/aohamiltonian/hamiltonians.h5 +3 -0
  27. 1_data_prepare/data/disp-36/reconstruction/aohamiltonian/overlaps.h5 +3 -0
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  29. 1_data_prepare/data/disp-36/reconstruction/aohamiltonian/rh.h5 +3 -0
  30. 1_data_prepare/data/disp-36/scf/VSC +3 -0
  31. 1_data_prepare/data/disp-36/scf/diamond.save/charge-density.dat +3 -0
  32. 2_training/hamiltonian/band_compare_sc_ml.png +3 -0
  33. 2_training/hamiltonian/band_compare_uc_ml.png +3 -0
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  42. 2_training/hamiltonian/infer_sc/output/test_result.h5 +3 -0
  43. 2_training/hamiltonian/results/2026-02-19_22-24-54_diamond_e3/best_model.pkl +3 -0
  44. 2_training/hamiltonian/results/2026-02-19_22-24-54_diamond_e3/model.pkl +3 -0
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