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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed May 1, 2024
1 parent 7d93540 commit d51fec6
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions gbasis/integrals/libcint.py
Original file line number Diff line number Diff line change
Expand Up @@ -1160,7 +1160,9 @@ def angular_momentum_integral(self, origin=None, notation="physicist", transform
raise NotImplementedError("Angular momentum integral doesn't work; see Issue #149")
# return self._amom(origin=origin, notation=notation, transform=transform)

def point_charge_integral(self, point_coords, point_charges, notation="physicist", transform=None):
def point_charge_integral(
self, point_coords, point_charges, notation="physicist", transform=None
):
r"""
Compute the point charge integrals.
Expand Down Expand Up @@ -1234,7 +1236,9 @@ def moment_integral(self, orders, origin=None, notation="physicist", transform=N
if sum(order) == 0:
out[:, :, i] = self._ovlp(notation=notation, transform=transform)
else:
out[:, :, i] = self._moments[tuple(order)](origin=origin, notation=notation, transform=transform)
out[:, :, i] = self._moments[tuple(order)](
origin=origin, notation=notation, transform=transform
)
except KeyError:
raise ValueError(
"Invalid order; can use up to order 4 for any XYZ component,"
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