[us-commits] [ehb54/ultrascan3] 8599c8: somo/doc: say that the quoted shell-reduction erro...

[emre brookes]

  Branch: refs/heads/ehb54-issue-984
  Home:   https://github.com/ehb54/ultrascan3
  Commit: 8599c88d5ecbfe77c3688ccf953369d0afd7017f
      https://github.com/ehb54/ultrascan3/commit/8599c88d5ecbfe77c3688ccf953369d0afd7017f
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-08-07 (Fri, 07 Aug 2026)

  Changed paths:
    M us_somo/somo/doc/manual/somo/somo_hydro.html

  Log Message:
  -----------
  somo/doc: say that the quoted shell-reduction error is the largest over quantities

The page said the achieved error is written to the results file, but not that
the single figure shown in the progress window is the MAXIMUM over the
requested quantities. Since intrinsic viscosity converges far more slowly than
the rest, that figure is usually its, and reading it as the accuracy of the
translational diffusion coefficient understates the latter severalfold -- a
misreading a real run produced.

Co-Authored-By: Claude Opus 5 <noreply at anthropic.com>



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