Enforce deterministic group ordering across entropy pipeline and fix ethyl-acetate regression test topology mismatch

[harryswift01]

Summary

This PR enforces deterministic ordering of group iteration across the entropy pipeline and fixes a configuration mismatch in the regression testing suite where the ethyl-acetate system was incorrectly using benzaldehyde topology files in the axes-off test. The changes ensure reproducible results across runs and correct topology usage, followed by regeneration of the affected baselines.

Changes

Enforce deterministic group ordering:

• Introduced sorted(groups.items()) in all relevant nodes and workflow stages
• Standardized iteration order over groups in configurational, orientational, vibrational, covariance, and workflow components
• Updated group-to-index mapping to use sorted group keys for consistent indexing
• Ensured deterministic aggregation and reporting of results

Fix topology configuration for ethyl-acetate:

• Updated the ethyl-acetate system to reference the correct topology files
• Removed incorrect linkage to benzaldehyde topology files in axes-off regression test

Update regression baselines:

• Regenerated and updated baselines for the ethyl-acetate axes-off test using the corrected configuration and deterministic pipeline

Impact

• Ensures reproducible and deterministic entropy calculations across runs
• Prevents ordering-related nondeterminism in matrices, indexing, and outputs
• Ensures regression tests are stable and meaningful
• Fixes incorrect topology usage for ethyl-acetate, improving test validity and overall suite integrity

[skfegan]

Looks good. Tidying up the regression tests to ensure consistency.