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fix(security): 2 improvements across 2 files #1367

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fix(security): 2 improvements across 2 files
tomaioo Jun 22, 2026
7d105da
fix(security): 2 improvements across 2 files
tomaioo Jun 22, 2026
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4 changes: 4 additions & 0 deletions src/openfermion/chem/reduced_hamiltonian.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
from itertools import product
import numpy
from openfermion.ops.representations import InteractionOperator
Expand All @@ -6,6 +6,10 @@
def make_reduced_hamiltonian(
molecular_hamiltonian: InteractionOperator, n_electrons: int
) -> InteractionOperator:
if n_electrons < 2:
raise ValueError(
'n_electrons must be at least 2 to avoid division by zero.'
)
Comment on lines +9 to +12

@gemini-code-assist gemini-code-assist Bot Jun 22, 2026

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high

In Python, a function's docstring must be the very first statement in the function body. Placing the if n_electrons < 2: validation check before the docstring prevents Python from recognizing it as a docstring, which breaks documentation generation and tools. Please move this validation block to be after the docstring (after line 39).

r"""
Construct the reduced Hamiltonian.

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4 changes: 4 additions & 0 deletions src/openfermion/linalg/rdm_reconstruction.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
import numpy as np
from openfermion.linalg.wedge_product import wedge

Expand All @@ -16,6 +16,10 @@
Returns:
six-tensor reprsenting the three-RDM
"""
if n_electrons < 2:
raise ValueError(
'n_electrons must be at least 2 to avoid division by zero.'
)
opdm = (2 / (n_electrons - 1)) * np.einsum('ijjk', tpdm)
unconnected_tpdm = wedge(opdm, opdm, (1, 1), (1, 1))
unconnected_d3 = wedge(opdm, unconnected_tpdm, (1, 1), (2, 2))
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