The refinement's solvent step (waters built and removed, ions relabelled, and the
solvent audit) now runs only with --refine-solvent; --no-refine-solvent is the
default. When off, no audit is made, no <prefix>_solvent.json is written, and the
report carries REFINE_SOLVENT=NOT_PERFORMED in place of the REFINE_SOLVENT_ keys.
RefinementSettings::solvent and RugnuxConfig::refine_solvent default to false, so
the broker's live rugnux follows; RefinementResult::solvent becomes optional.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01HVeDQqrcrEZy6XBUCMZvyT
leonarski_fandClaude Opus 5.5
b822a775ac