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Fix forward errors according to format-incremental
1 parent 995d46f commit c15d5a0

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Lines changed: 6 additions & 8 deletions

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src/openfermion/chem/molecular_data.py

Lines changed: 6 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -394,9 +394,9 @@ def spinorb_from_spatial(one_body_integrals, two_body_integrals):
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two_body_coefficients[2 * p, 2 * q, 2 * r, 2 * s] = two_body_integrals[
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p, q, r, s
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]
397-
two_body_coefficients[
398-
2 * p + 1, 2 * q + 1, 2 * r + 1, 2 * s + 1
399-
] = two_body_integrals[p, q, r, s]
397+
two_body_coefficients[2 * p + 1, 2 * q + 1, 2 * r + 1, 2 * s + 1] = (
398+
two_body_integrals[p, q, r, s]
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)
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# Truncate.
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one_body_coefficients[numpy.absolute(one_body_coefficients) < EQ_TOLERANCE] = 0.0
@@ -1025,11 +1025,9 @@ def get_molecular_hamiltonian(self, occupied_indices=None, active_indices=None):
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one_body_integrals, two_body_integrals = self.get_integrals()
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constant = self.nuclear_repulsion
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else:
1028-
(
1029-
core_adjustment,
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one_body_integrals,
1031-
two_body_integrals,
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) = self.get_active_space_integrals(occupied_indices, active_indices)
1028+
(core_adjustment, one_body_integrals, two_body_integrals) = (
1029+
self.get_active_space_integrals(occupied_indices, active_indices)
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)
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constant = self.nuclear_repulsion + core_adjustment
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one_body_coefficients, two_body_coefficients = spinorb_from_spatial(

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