Group quantum chemistry templates #1822
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| dev = qml.device('default.qubit', wires=5) | ||
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| @qml.qnode(dev) | ||
| def circuit(weight, wires1=None, wires2=None): | ||
| DoubleExcitationUnitary(weight, wires1=wires1, wires2=wires2) | ||
| FermionicDoubleExcitation(weight, wires1=wires1, wires2=wires2) |
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quick comment @obliviateandsurrender: as of the upcoming PL release, we now support qml.TemplateName directly, so will be rewriting all tutorials and examples. So here you could simply have
| FermionicDoubleExcitation(weight, wires1=wires1, wires2=wires2) | |
| qml.FermionicDoubleExcitation(weight, wires1=wires1, wires2=wires2) |
and remove the import above (and similarly, qml.templates.TemplateName can be replaced with qml.TemplateName where it appears)
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Hey, thanks for the update! I have incorporated this for the templates (and their unit tests) that are being modified in this PR. I hope that should be fine.
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Looks amazing! Thank you for doing this @obliviateandsurrender
I'd just like to re-order the templates, otherwise good to go from my side
doc/introduction/templates.rst
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| Quantum Chemistry templates | ||
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| Quantum chemistry templates define various heuristic ansätze used in variational algorithms |
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| Quantum chemistry templates define various heuristic ansätze used in variational algorithms | |
| Quantum chemistry templates define various quantum circuits used in variational algorithms |
| Quantum chemistry templates define various heuristic ansätze used in variational algorithms | ||
| like VQE to perform quantum chemistry simulations. | ||
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| .. customgalleryitem:: |
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Let's order them based on importance. I would suggest:
AllSinglesDoubles
GateFabric
UCCSD
k-UpGCCSD
PC1
PC2
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Would FermionicSingleExcitation and FermionicDoubleExcitation also belong here?
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I was considering the same. @ixfoduap, what do you think about it?
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I think these are better left as subroutines since they are not really templates you would use to build a circuit
doc/releases/changelog-dev.md
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| * Templates `SingleExcitationUnitary` and `DoubleExcitationUnitary` have been renamed | ||
| to `FermionicSingleExcitation` and `FermionicDoubleExcitation`, respectively. | ||
| [(#1822)](https://github.com/PennyLaneAI/pennylane/pull/1822) |
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This item might fit into Breaking changes more. It breaks code that used to use templates before the renaming.
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I actually thought I wrote it under the Breaking changes. I have shifted it there now.
Context:
Group the templates related to quantum chemistry under a common header.
Description of the Change:
ParticleConservingU1,ParticleConservingU2,GateFabric(from Layer templates section) andAllSinglesDoubles,UCCSD,k-UpCCGSD(from Other subroutines section) to Quantum Chemistry templates section.SingleExcitationUnitaryandDoubleExcitationUnitarytoFermionicSingleExcitationandFermionicDoubleExcitation, respectively, since the term 'Unitary' seemed somewhat redundant.customgalleryitem(defined by GALLERY_TEMPLATE variable) to solve the issue regarding the name of some templates overflowing to an additional line, hence breaking the grid design.Benefits:
Sends a clear message that Pennylane supports a dedicated collection of templates for quantum chemistry.
Possible Drawbacks:
None.
Related GitHub Issues:
None.