This repository has been archived by the owner on Dec 7, 2021. It is now read-only.
Orbital Optimization VQE algorithm for Chemistry #1355
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
fetch qiskit master
This properly implements the AdaptVQEGroundStateCalculation class. The idea of this class is to allow easy use of the VQEAdapt algorithm which was previously extended to support the MinimumEigensolver interface. This Calculation class is solely for the use with this algorithm which is why it does not support setting a different solver. Instead, it requires setting a QuantumInstance object through its initializer. The changes which this requires include the following: - fixing the GroundStateCalculation class - fixing the MinEigensolverGroundStateCalculation class Furthermore, a very basic unittest for this change was added.
…ult working with mineigensolver result
This reverts commit 362843b.
pbark
requested review from
manoelmarques,
stefan-woerner and
woodsp-ibm
as code owners
pbark
added
Changelog: New Feature
|
closes #739 |
woodsp-ibm
changed the title
woodsp-ibm
reviewed
Oct 15, 2020
...chemistry/algorithms/ground_state_solvers/minimum_eigensolver_factories/vqe_uccsd_factory.py
Outdated
Show resolved
Hide resolved
woodsp-ibm
reviewed
Oct 15, 2020
qiskit/chemistry/algorithms/ground_state_solvers/orbital_optimization_vqe.py
Outdated
Show resolved
Hide resolved
woodsp-ibm
reviewed
Oct 15, 2020
qiskit/chemistry/algorithms/ground_state_solvers/orbital_optimization_vqe.py
Outdated
Show resolved
Hide resolved
woodsp-ibm
reviewed
Oct 15, 2020
qiskit/chemistry/algorithms/ground_state_solvers/orbital_optimization_vqe.py
Outdated
Show resolved
Hide resolved
woodsp-ibm
reviewed
Oct 15, 2020
qiskit/chemistry/algorithms/ground_state_solvers/orbital_optimization_vqe.py
Outdated
Show resolved
Hide resolved
woodsp-ibm
approved these changes
Oct 15, 2020
Sign up for free
to subscribe to this conversation on GitHub.
Already have an account?
Sign in.
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Summary
Introduces a new Ground State Solver, namely orbital optimization VQE as in Sokolov et al. , The Journal of Chemical Physics 152 (12), 124107 (arXiv:1911.10864)
Details and comments