Bernoulli Expansion based Unitary Coupled-Cluster - #581

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ajay-mk wants to merge 38 commits into

ajay/feat/bernoulli-v2

Commits on Aug 11, 2026

feat(mbpt): operator-valued Wick reduction for the Bernoulli expansion
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802711e
feat(mbpt): N/R operator split for the Bernoulli expansion
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5fb0700
feat(mbpt): rank-by-rank assembly of the Bernoulli H̄, Eqs. (45)-(50)
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eae1767
feat(mbpt): select the Bernoulli H̄ expansion from the CC engine
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d69340b
test(mbpt): tests for Bernoullie UCC equations
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7dca562
docs(mbpt): correct the Bernoulli comments
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c806cea
test(mbpt): cleanup Bernoulli related unit tests
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3086ffe
refactor(mbpt): guard the Bernoulli partition tags, simplify the memo key
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40ab0d4
docs(mbpt): note that the Bernoulli H̄ bypasses CC::ref_av
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98e882f
test(mbpt): take the has_tensor label by const reference
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f5c15a2
test(mbpt): UCC equation-derivation integration test
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af21188
perf(mbpt): collapse Bernoulli H̄ summands eagerly during assembly
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fe55817
docs(mbpt): tighten the Bernoulli comments
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00e1a70
feat(mbpt): per-block H̄ truncation for the EOM sigma equations
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dc40971
test(mbpt): block-truncated qUCCSD EOM unit test
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581d71e
chore: ignore the local developer setup files
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89849b7
refactor(mbpt): tighten eom_r_blocked comments, restore the Bernoulli guard
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a027df1
Revert .gitignore: drop unrelated local-dev-setup entries
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4ff7a75
docs(mbpt): clean up Bernoulli comments to defer to the paper
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fd0c70f
refactor(mbpt): assert, not throw, on the block-EOM preconditions
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9c9b67c
docs(mbpt): say that the Bernoulli hbar is tensor-level and unscreened
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635d216
refactor(mbpt): take wick_reduce's input by const reference
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737049f
docs(mbpt): correct the Bernoulli expansion comments
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86a03c9
fix(mbpt): reject the Bernoulli expansion in CC::tʼ
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1341008
test(mbpt): pin coefficients, cross-check the blocked path, guard the assert tests
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b87e715
feat(mbpt): allow uniform-rank EOM under the Bernoulli expansion
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dbc5106
fix(mbpt): assert the block expansion found a base space to expand into
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835a264
docs(mbpt): trim the Bernoulli comments
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d022fa6

Commits on Aug 17, 2026

Commits on Aug 21, 2026