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Likely code errors in isdf.py #924

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mhucka opened this issue Feb 3, 2025 · 0 comments
Open

Likely code errors in isdf.py #924

mhucka opened this issue Feb 3, 2025 · 0 comments

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@mhucka
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mhucka commented Feb 3, 2025

In src/openfermion/resource_estimates/pbc/thc/factorizations/isdf.py at lines 587-589, a variable is getting assigned to itself, which is probably an error:

    else:
        delta_gs = [g_vectors] * num_kpts
        g_mapping = g_mapping

Around lines 912-917, the same thing happens with another variable:

    elif kmeans_weighting_function == "sum_squares":
        # w(r) = sum_{i} |phi_{ki}(r)|
        weighting_function = np.einsum(
            "kRi,kRi->R", bloch_orbitals_mo.conj(), bloch_orbitals_mo, optimize=True
        )
        weighting_function = weighting_function
@mhucka mhucka changed the title Likely code error in isdf.py Likely code errors in isdf.py Feb 3, 2025
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