Artifact Retention - #92
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Document the Stage F exact decorated-site construction fix, removal of destructive exact-layer gap equalization, explicit boundary-normal topology, termination cycling, and topology-aware interface separation. The v0.2.0 version itself was established in Stage E; this commit updates the unreleased release notes to reflect the completed scope.
Add persistent left/right grain ownership for file-based optimizer workflows while keeping LAMMPS atom IDs transient to each evaluation. - add immutable grain-ownership metadata and file mapping helpers - reload evaluated structures by explicit atom-ID mapping - validate returned IDs, species, counts, and coordinates - preserve ownership when atoms cross the geometric GB plane - propagate ownership through supported GBManipulator operations - add an ownership-aware GA evaluation path without changing legacy behavior - add asymmetric-boundary and reordered-output regressions
… exhausted so failure on one doesn't end the run
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This PR introduces a complete artifact-retention and structure-archival lifecycle for GBOpt, with support for both Genetic Algorithm and Monte Carlo minimizers. The implementation preserves the central invariant that cleanup must never make a checkpoint non-resumable, while scientifically retained and final results remain structurally reconstructable and sufficiently provenance-backed.
Summary of changes
GBOpt.artifactssubpackage containing immutable artifact/retention types, scientific retention rules, retention policy configuration, provenance support, safe cleanup helpers, and the runtime artifact store.KeepBest,KeepRange,KeepDistinct, andKeepIf, with deterministic ranking, tie-breaking, validation, and policy signatures.BEST_RESULTpin rather than treating the objective as an implicit scientific-retention policy.RetentionCandidatemodel, but now receive lightweight failure provenance and may retain a configurable number of recent diagnostic artifacts before older failed work directories become eligible for cleanup.Overall, this change moves persistent storage growth away from scaling with the full optimization history and toward scaling with active checkpoint state plus a bounded set of scientifically meaningful retained results. Existing keep-all behavior remains available when artifact pruning is not enabled.
Closes/References
Closes #91
Depends on #60