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@miosync-masa miosync-masa released this 17 May 11:13
04d5cd6

Differences from v1.2.0:

  • Input validation (com_positions, rmsd, radius_of_gyration finiteness)
  • _compute_rho_T: scalar covariance guard (ported from lambda_structures_core.py)
  • _compute_sigma_s: NaN guard on correlation matrix
  • _compute_lambda_F: post-computation finiteness check (warning)
  • _print_statistics: NaN/Inf prominently flagged

API, return-value keys, and array shapes are UNCHANGED.