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Ability to generate DF block encoding without performing JW #13

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max-radin opened this issue May 7, 2024 · 1 comment
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Ability to generate DF block encoding without performing JW #13

max-radin opened this issue May 7, 2024 · 1 comment

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@max-radin
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@KaterinaGratsea and I found that generating the double factorized block encoding for large instances requires a lot of memory because the init method of ChemicalHamiltonian will perform a Jordan-Wigner transform on the Hamiltonian. For example, it was not possible to generate the block encoding for a 46 orbital Hamiltonian on a machine with 30 gb of memory.

Since the JW transformed Hamiltonian is not needed for the DF block encoding, I think it would be good to update ChemicalHamiltonian to not perform JW during initialization. Note however that this is not a blocker for us: we're able to work around the issue by just commenting out these lines.

@kjm538
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kjm538 commented May 17, 2024

Thanks for bringing this up. This has been fixed in v1.2.0 which is now available.

@rroodll rroodll closed this as completed May 17, 2024
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