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Hopefully replace correct attribute.
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cjcscott committed Apr 14, 2023
1 parent 69c9c6a commit 243fe4e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion vayesta/solver/ccsd.py
Original file line number Diff line number Diff line change
Expand Up @@ -373,7 +373,7 @@ def get_eris(self):
except ValueError as e:
if any(np.array(self.cluster.nocc_active) == 0) or any(np.array(self.cluster.nvir_active) == 0):
self.log.info("Cluster has no occupied and/or virtual orbitals in one spin channel.")
with replace_attr(self.mf.mol, incore_anyway=True):
with replace_attr(self.solver, incore_complete=True):
return super().get_eris()
else:
# Need to ensure we raise the error that will otherwise be suppressed.
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