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Update AdaptVQE to new, stateless VQE #222

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merged 3 commits into from
Jun 18, 2021
Merged

Update AdaptVQE to new, stateless VQE #222

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aa1e249
fix AdaptVQE
Cryoris Jun 3, 2021
57befdf
add reno
Cryoris Jun 3, 2021
e67a0f2
Merge branch 'main' into fix-adapt-vqe
woodsp-ibm Jun 17, 2021
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6 changes: 2 additions & 4 deletions qiskit_nature/algorithms/ground_state_solvers/adapt_vqe.py
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Original file line number Diff line number Diff line change
Expand Up @@ -97,12 +97,10 @@ def _compute_gradients(
self._ansatz.operators = self._excitation_list + [exc]
# set the current ansatz
vqe.ansatz = self._ansatz
ansatz_params = vqe.ansatz._parameter_table.keys()
# construct the expectation operator of the VQE
vqe._expect_op = vqe.construct_expectation(ansatz_params, self._main_operator)
# evaluate energies
parameter_sets = theta + [-self._delta] + theta + [self._delta]
energy_results = vqe._energy_evaluation(np.asarray(parameter_sets))
energy_evaluation = vqe.get_energy_evaluation(self._main_operator)
energy_results = energy_evaluation(np.asarray(parameter_sets))
# compute gradient
gradient = (energy_results[0] - energy_results[1]) / (2 * self._delta)
res.append((np.abs(gradient), exc))
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6 changes: 6 additions & 0 deletions releasenotes/notes/fix-adapt-vqe-c9df0c06ea352b91.yaml
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@@ -0,0 +1,6 @@
---
fixes:
- |
Fix :class:`~qiskit_nature.algorithms.AdaptVQE` after the update of
:class:`~qiskit.algorithms.VQE` which deleted the internal ``_energy_evaluation``
method that Adapt-VQE was relying on.