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Changelog

crystract 1.0.1

CRAN release: 2026-05-28

  • Refactored internal CIF extraction logic to robustly check for multiple alternative CIF tags when parsing chemical formulas, structure types, and space group names/numbers.
  • Updated README installation instructions to include options for both stable (CRAN) and development (GitHub) releases.
  • Improved the package vignette by updating Wyckoff filtering examples (from 4a to 4d) and adding a new section demonstrating how experimental errors are extracted from CIF loops and propagated through calculations.

crystract 1.0.0

CRAN release: 2026-03-20

  • Initial CRAN submission.