Nobody checked which state IBM's flagship quantum chemistry results compute

This is the data-and-code archive for the preprint "Which state are you converging? A spin audit of sample-based quantum diagonalization benchmarks on iron–sulfur clusters." Sample-based quantum diagonalization (SQD, also called QSCI) selects electronic configurations from quantum-circuit samples and diagonalizes the Hamiltonian in that subspace. Its iron–sulfur demonstrations, on the [2Fe-2S] and [4Fe-4S] clusters, are among the headline evidence for utility-scale quantum chemistry. Thi