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add docstring for ci_strs
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kevinsung committed Oct 9, 2024
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5 changes: 5 additions & 0 deletions qiskit_addon_dice_solver/dice_solver.py
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Expand Up @@ -99,6 +99,11 @@ def solve_hci(
eri: Electronic repulsion integrals representing two-electron integrals.
norb: The number of spatial orbitals.
nelec: The numbers of spin up and spin down electrons.
ci_strs: CI strings specifying the subspace to use at the beginning of the first HCI iteration.
Should be specified as a pair of lists, with the first list containing the alpha strings and the
second list containing the beta strings. If not specified, only the Hartree-Fock string will be used.
A CI string is specified as an integer whose binary expansion encodes the string. For example,
the Hartree-Fock string with 3 electrons in 5 orbitals is `0b00111`.
spin_sq: Target value for the total spin squared for the ground state. If ``None``, no spin will be imposed.
select_cutoff: Cutoff threshold for retaining state vector coefficients.
energy_tol: Energy floating point tolerance.
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