qiskit-nature
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Add low rank decomposition utilities
Summary
Part of #654. Adds utilities to perform the low rank decomposition of a molecular Hamiltonian. Upcoming pull requests will use this to implement Hamiltonian simulation using Trotter formulas. Credit goes to @robparrish who wrote the original code on which this implementation is based.
Details and comments
This branch has been forced pushed and maybe that is what caused it to bring changes already committed by other PRs and already in main. Ideally, it should only contain the actual changes done to it otherwise it makes harder to review and once merged, those old files will have in their history this PR even though it never acted on them. My opinion is that should be closed and started with a new clean PR.
I agree that ideally there would be one clean commit. Unfortunately that won't be possible until #697, #716, and #730 are merged.
I agree that ideally there would be one clean commit.
Great, lets make it so once the dependents are dealt with.
Pull Request Test Coverage Report for Build 2839865437
- 202 of 209 (96.65%) changed or added relevant lines in 4 files are covered.
- No unchanged relevant lines lost coverage.
- Overall coverage increased (+0.1%) to 85.444%
| Changes Missing Coverage | Covered Lines | Changed/Added Lines | % |
|---|---|---|---|
| qiskit_nature/utils/low_rank.py | 173 | 180 | 96.11% |
| <!-- | Total: | 202 | 209 |
| Totals | |
|---|---|
| Change from base Build 2828679288: | 0.1% |
| Covered Lines: | 17710 |
| Relevant Lines: | 20727 |
