added optional subspace to diagonalization #146
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kevinsung
requested changes
Feb 20, 2025
qiskit_addon_sqd/fermion.py
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| @@ -79,6 +82,10 @@ def solve_fermion( | |||
| spin_sq: float | None = None, | |||
| max_davidson: int = 100, | |||
| verbose: int | None = None, | |||
| subspace: bool = False, | |||
| subspace_orb: Optional[int] = None, | |||
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Suggested change
| subspace_orb: Optional[int] = None, | |
| subspace_orb: int | None = None, |
and similarly elsewhere
qiskit_addon_sqd/fermion.py
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| @@ -79,6 +82,10 @@ def solve_fermion( | |||
| spin_sq: float | None = None, | |||
| max_davidson: int = 100, | |||
| verbose: int | None = None, | |||
| subspace: bool = False, | |||
| subspace_orb: Optional[int] = None, | |||
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You need to document these arguments in the docstring.
qiskit_addon_sqd/fermion.py
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| @@ -593,3 +610,17 @@ def _transition_str_to_bool(string_rep: np.ndarray) -> tuple[np.ndarray, np.ndar | |||
| annihilate = np.logical_or(string_rep == "-", string_rep == "n") | |||
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| return diag, create, annihilate | |||
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| def generate_bitstrings(norb, neleca,nelecb, n_orb, n_alpha, n_beta): | |||
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Please write a docstring for this function. If it's meant to be a private function, prefix it with an underscore _. Also, please add type annotations to the function arguments.
qiskit_addon_sqd/fermion.py
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| alpha_strings = get_strings(n_orb, n_alpha) | ||
| beta_strings = get_strings(n_orb, n_beta) | ||
| d_orb = neleca+nelecb - n_alpha - n_beta | ||
| doubly_occ = [''.join(seq) for seq in itertools.product('1', repeat=int(d_orb/2))] |
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This line is equivalent to
double_occ = ['1' * int(d_orb / 2)]Is this what you meant to write? I'm having a bit of trouble following the logic.
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Fixes #137
subspace = True allows one to always have configurations spanning a user-defined smaller subspace (norbsmall, nelecsmall) in the diagonalization, regardless of samples collected from experiments. Optional arguments include subspace_norb, subspace_alpha, and subspace beta.