Include the option for imaginary parts in the UCC ansatz #455
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
tanvipg
requested review from
manoelmarques,
mrossinek,
pbark,
stefan-woerner and
woodsp-ibm
as code owners
|
|
tanvipg
commented
Dec 9, 2021
|
I think unittests are required for this new feature since the feature is totally new. |
pbark
suggested changes
Apr 14, 2022
pbark
force-pushed
the
imaginary_UCCSD
branch
2 times, most recently
from
44ceb99 to
21a3456
Compare
woodsp-ibm
reviewed
Apr 14, 2022
..._nature/properties/second_quantization/electronic/integrals/two_body_electronic_integrals.py
Outdated
Show resolved
Hide resolved
mrossinek
requested changes
May 25, 2022
..._nature/properties/second_quantization/electronic/integrals/two_body_electronic_integrals.py
Outdated
Show resolved
Hide resolved
mtreinish
force-pushed
the
imaginary_UCCSD
branch
from
1ec4f42 to
29570a4
Compare
Pull Request Test Coverage Report for Build 4813358660
💛 - Coveralls |
woodsp-ibm
reviewed
May 25, 2022
mrossinek
previously approved these changes
May 31, 2022
There was a problem hiding this comment.
This LGTM now (assuming CI passes). I'll await another review by @pbark or @woodsp-ibm before merging 👍
woodsp-ibm
reviewed
May 31, 2022
HuangJunye
added
the
Community PR
woodsp-ibm
removed
the
Community PR
Co-authored-by: Max Rossmannek <[email protected]>
This ensures that the HFInitialPoint array has the correct shape.
…als/two_body_electronic_integrals.py
mrossinek
force-pushed
the
imaginary_UCCSD
branch
from
bfa5d8a to
2996487
Compare
|
With complex integrals no longer being an issue in the stack (see also #1144), I have updated this PR to the latest changes. |
mrossinek
force-pushed
the
imaginary_UCCSD
branch
from
2996487 to
7fc6622
Compare
mrossinek
force-pushed
the
imaginary_UCCSD
branch
from
7fc6622 to
5d2113a
Compare
woodsp-ibm
approved these changes
Apr 26, 2023
Anthony-Gandon
pushed a commit
to Anthony-Gandon/qiskit-nature
that referenced
this pull request
May 25, 2023
…unity#455) * included the option for imaginary parts to ucc * fix sign * fix black * Added unittest for imaginary component * Run black * Fix spelling, lint * Update qiskit_nature/circuit/library/ansatzes/ucc.py Co-authored-by: Max Rossmannek <[email protected]> * Add include_imaginary arg. to subclasses of UCC * Patch the UCC excitation_list when `include_imaginary is True`. This ensures that the HFInitialPoint array has the correct shape. * Update qiskit_nature/properties/second_quantization/electronic/integrals/two_body_electronic_integrals.py * Update ucc_imaginary-8d7d9c3322899a34.yaml * Migrate proposed changes to new code location --------- Co-authored-by: Panagiotis Barkoutsos <[email protected]> Co-authored-by: Marc Sanz Drudis <[email protected]> Co-authored-by: Matthew Treinish <[email protected]> Co-authored-by: Manoel Marques <[email protected]> Co-authored-by: Manoel Marques <[email protected]> Co-authored-by: Max Rossmannek <[email protected]> Co-authored-by: Declan Millar <[email protected]> Co-authored-by: Max Rossmannek <[email protected]>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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
A feature added to the ucc.py file to include imaginary contributions to the ucc wave function along with the real parts. To allow for complex values in the Hamiltonian, changes to the 'so_matrix' initiation in the 'two_body_electronic_integrals.py' were added as well.
Details and comments
3. Modified the '_build_fermionic_excitation_ops()' in 'ucc.py' file to incorporate the additions described above