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PENTRC: document atol_x/rtol_x controls and fix precision suffix (cleanup for #280) - #290

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pentrc_tolerance_docs_cleanup
Aug 5, 2026
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PENTRC: document atol_x/rtol_x controls and fix precision suffix (cleanup for #280)#290
logan-nc merged 1 commit into
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pentrc_tolerance_docs_cleanup

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@logan-nc logan-nc commented Aug 3, 2026

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Non-blocking cleanup items from the #280 review, as a follow-up so #280 could merge as-authored:

  • Adds the new atol_x/rtol_x energy-integration controls to input/pentrc.in with comments explaining the derive-from-pitch default (1e-2 margin).
  • Corrects the atol_xlmda/rtol_xlmda comments in the master template and all 14 example decks: they are pitch-only tolerances now, with the energy tolerances derived unless overridden (PENTRC: fix OpenMP data race on the energy contour flag (and a nested-quadrature tolerance defect) #280 made the old "energy and pitch" wording untrue).
  • nested_tolerance_margin = 1e-21e-2_r8 per the project's precision conventions.

No behavior change: the _r8 suffix shifts the margin only at the single-vs-double literal conversion level (~5e-10 relative), and the template edits are comments plus explicit defaults.

Draft until #280 (and #281) merge — this branch is based on #280's head so the diff currently includes its commits; it collapses to the 16-file cleanup once #280 lands.

🤖 Generated with Claude Code

https://claude.ai/code/session_01Rewp8poxoQyorK48SwxEUv

…ffix

Follow-up cleanup for the nested-quadrature tolerance split: adds the new
atol_x/rtol_x energy-integration controls to the master input template,
corrects the atol_xlmda/rtol_xlmda comments in all templates (pitch-only
now, with energy tolerances derived unless overridden), and gives the
nested_tolerance_margin parameter its _r8 suffix per code conventions.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Rewp8poxoQyorK48SwxEUv
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logan-nc force-pushed the pentrc_tolerance_docs_cleanup branch from dede10a to a4b097e Compare August 4, 2026 20:19
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logan-nc marked this pull request as ready for review August 4, 2026 20:21
@logan-nc
logan-nc merged commit e68d7ac into develop Aug 5, 2026
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