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API reference
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quemb.molbe.ube.UBE.get_be_error_jacobian¶

UBE.get_be_error_jacobian(jac_solver='HF')¶

Return type:: ndarray[Tuple[int, ...], dtype[floating]]

quemb.molbe.ube.UBE.initialize

quemb.molbe.ube.UBE.compute_energy_full

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quemb.molbe.ube.UBE.get_be_error_jacobian
- UBE.get_be_error_jacobian()