docs: fix manual/code inconsistencies (SO, DOS --subtract-mu, FLEX, Eliashberg) + FLEX PairHop warning#31
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Consistency audit fixes across RPA/UHFk/FLEX/DOS docs (EN+JA): - High: init_gap "dx2y2"->"d_x2y2" (was a ValueError trap); document the new hwave_dos --subtract-mu flag; UHFk SO mode supports interaction terms (not just Transfer) via virtual spin decomposition; clarify that SO interaction files use physical-orbital indices (1..N/2) while only Transfer uses 2*orb+spin. - Medium: document chi0q/chiq index_convention="spin_block" npz key; fix "cos" form factor (cos(kx+ky+kz)); document FLEX calc_scheme/calc_type constraint; qualify FLEX Exchange/PairLift/PairHop as density-density-only (off-diagonal dropped); add SO Norbit doubling note to UHFk geometry; add PairLift to the RPA SO interaction list. - Low: document chiq_pm output key; add Coulomb to UHFk config keyword list; list mode="FLEX"; refresh howtouse src tree (flex/dos/sc). Source .rst only (build/html untouched); sphinx build clean (no new errors). Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
…xchange) The doc-consistency audit surfaced a real gap: FLEX drops the off-diagonal vertices of Exchange, PairLift AND PairHop via the 'kaabb->kab' density-density reduction, but the warning only fired for has_interaction_exchange() (Exchange/PairLift), silently dropping PairHop's pair-scattering vertices. Extend the warning condition to has_interaction_pairhop() and broaden the message. Makes the FLEX manual (which lists all three as density-density-only with a warning) accurate. Adds test_pairhop_interaction_warns. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
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概要
マニュアル(Sphinx,
docs/{en,ja}/source)とコードの整合性監査(RPA/UHFk/FLEX/DOS/Eliashberg を横断)で見つかった不整合を修正(develop宛, 2 commits)。EN/JA 両方を更新。sphinx ビルドはクリーン(新規エラー 0)、全 452 tests pass、Codex GO。変更
docs 修正(
bc345d1, EN/JA 各 10 ファイル)High(ユーザーに実害)
init_gap = "dx2y2"→"d_x2y2"(コードに無く ValueError になる typo)。フォームファクタ全リストも追記。--subtract-muを記載(energy.dat の ChemicalPotential から μ を読み E−μ 軸に)。2α+s+1は Transfer ファイルのみ、相互作用定義ファイルは物理軌道索引 (1..N/2)。Medium
index_convention="spin_block"メタデータキーを記載。"cos"フォームファクタをcos(kx+ky+kz)に訂正。FLEX のcalc_scheme(reduced/squashed 必須)・calc_type(ring+ladder 不可)制約を記載。FLEX の Exchange/PairLift/PairHop を density-density 近似(off-diagonal 破棄)と訂正。UHFk geometry に SO の Norbit 倍化(=SO数, 偶数)を追記。RPA SO 相互作用列挙に PairLift を追加。Low
mode="FLEX"、howtouse のファイルツリー(flex/dos/sc)。code 修正(
e6f0db7)— 監査が surface した実バグ'kaabb->kab')は Exchange/PairLift/PairHop すべての off-diagonal vertex を落とすが、warning 条件はhas_interaction_exchange()のみで PairHop が無警告だった。条件にhas_interaction_pairhop()を追加しメッセージを拡張。これで FLEX マニュアルの記述が正確に。新テストtest_pairhop_interaction_warns追加。検証
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