101 lines
3.9 KiB
Plaintext
101 lines
3.9 KiB
Plaintext
---
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title: AdaptVQE
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description: API reference for qiskit.chemistry.algorithms.AdaptVQE
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in_page_toc_min_heading_level: 1
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python_api_type: class
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python_api_name: qiskit.chemistry.algorithms.AdaptVQE
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---
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# AdaptVQE
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<Class id="qiskit.chemistry.algorithms.AdaptVQE" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/algorithms/ground_state_solvers/adapt_vqe.py" signature="AdaptVQE(transformation, solver, threshold=1e-05, delta=1, max_iterations=None)" modifiers="class">
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Bases: `qiskit.chemistry.algorithms.ground_state_solvers.ground_state_eigensolver.GroundStateEigensolver`
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A ground state calculation employing the AdaptVQE algorithm.
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**Parameters**
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* **transformation** (`FermionicTransformation`) – a fermionic driver to operator transformation strategy.
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* **solver** (`MinimumEigensolverFactory`) – a factory for the VQE solver employing a UCCSD variational form.
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* **threshold** (`float`) – the energy convergence threshold. It has a minimum value of 1e-15.
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* **delta** (`float`) – the finite difference step size for the gradient computation. It has a minimum value of 1e-5.
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* **max\_iterations** (`Optional`\[`int`]) – the maximum number of iterations of the AdaptVQE algorithm.
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## Methods
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### evaluate\_operators
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<Function id="qiskit.chemistry.algorithms.AdaptVQE.evaluate_operators" signature="AdaptVQE.evaluate_operators(state, operators)">
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Evaluates additional operators at the given state.
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**Parameters**
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* **state** (`Union`\[`str`, `dict`, `Result`, `list`, `ndarray`, `Statevector`, `QuantumCircuit`, `Instruction`, `OperatorBase`]) – any kind of input that can be used to specify a state. See also `StateFn` for more details.
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* **operators** (`Union`\[`WeightedPauliOperator`, `OperatorBase`, `list`, `dict`]) – either a single, list or dictionary of `WeightedPauliOperator``s or any kind of operator implementing the ``OperatorBase`.
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**Return type**
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`Union`\[`float`, `None`, `List`\[`Optional`\[`float`]], `Dict`\[`str`, `List`\[`Optional`\[`float`]]]]
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**Returns**
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The expectation value of the given operator(s). The return type will be identical to the format of the provided operators.
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</Function>
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### returns\_groundstate
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<Function id="qiskit.chemistry.algorithms.AdaptVQE.returns_groundstate" signature="AdaptVQE.returns_groundstate()">
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Whether the eigensolver returns the ground state or only ground state energy.
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**Return type**
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`bool`
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</Function>
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### solve
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<Function id="qiskit.chemistry.algorithms.AdaptVQE.solve" signature="AdaptVQE.solve(driver, aux_operators=None)">
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Computes the ground state.
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**Parameters**
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* **driver** (`BaseDriver`) – a chemistry driver.
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* **aux\_operators** (`Union`\[`List`\[`FermionicOperator`], `List`\[`BosonicOperator`], `None`]) – Additional auxiliary `FermionicOperator` instances to evaluate at the ground state.
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**Raises**
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[**AquaError**](qiskit.aqua.AquaError "qiskit.aqua.AquaError") – if a solver other than VQE or a variational form other than UCCSD is provided or if the algorithm finishes due to an unforeseen reason.
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**Return type**
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`Union`\[`ElectronicStructureResult`, `VibronicStructureResult`]
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**Returns**
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An AdaptVQEResult which is an ElectronicStructureResult but also includes runtime information about the AdaptVQE algorithm like the number of iterations, finishing criterion, and the final maximum gradient.
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</Function>
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## Attributes
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### solver
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<Attribute id="qiskit.chemistry.algorithms.AdaptVQE.solver">
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Returns the minimum eigensolver or factory.
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**Return type**
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`Union`\[`MinimumEigensolver`, `MinimumEigensolverFactory`]
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</Attribute>
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### transformation
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<Attribute id="qiskit.chemistry.algorithms.AdaptVQE.transformation">
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Returns the transformation used to obtain a qubit operator from the molecule.
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**Return type**
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`Transformation`
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</Attribute>
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</Class>
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