🎉 Release: merge develop into master#153
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AndrewSazonov merged 6 commits intomasterfrom Apr 13, 2026
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* Enable RET rule * Enable FBT rule * Bump dependencies
* Rename ShelxExtinction to BeckerCoppensExtinction with model switch * Apply formatting
* Apply latest templates * Correcting peak profiles * Make load_numeric_block skip non-numeric lines anywhere in file * Add double-jorgensen-von-dreele peak profile (CrysPy type0m) * Add some temporary documents and tests [ci skip] * Clean up * Exclude tmp/ directory and update roadmap * Clean up
* Apply latest templates * Correcting peak profiles * Make load_numeric_block skip non-numeric lines anywhere in file * Add double-jorgensen-von-dreele peak profile (CrysPy type0m) * Add some temporary documents and tests [ci skip] * Clean up * Exclude tmp/ directory and update roadmap * Clean up * Make data_type read-only on experiments * Refactor analysis and base modules to simplify API in pseudo-switchable categories * Restore minimiser variant support via thin subclasses * Add bumps minimizer * Use physical limits for the fitted parameters * Colorize correlation matrix: red negative, blue positive * Update tests for physical limits and correlation colorization * Fix cell length_a validator upper bound from 3.885 to 30 * Use default minimizer in Analysis constructor * Update test expectations for bumps (lm) default minimizer * Add more issues to issues_open.md * Fix formatting * Update some tutorials * Add SEQUENTIAL to FitModeEnum and show methods to Analysis
* Create implementation details * Rename b_iso to adp_iso and expand adp_type to four values * Add adp_iso_as_b property and use it in calculator bridges * Add AtomSiteAniso sibling collection with iso-ani conversion * Continue implementing ADPs * Continue implementing ADPs * Skip diagnostics for private attrs in GuardedBase.__getattr__ * Update SG tutorial * Apply formatting, etc. * Update tutorials * More fixes for the notebooks * Guard B/U convention consistency across structure atoms * Fix ADP type assertion in mixed types test to reflect auto-conversion * Add CIF loop tag consistency validation in serializer
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Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## master #153 +/- ##
==========================================
- Coverage 89.31% 88.83% -0.48%
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Files 134 145 +11
Lines 7700 8396 +696
Branches 723 853 +130
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+ Hits 6877 7459 +582
- Misses 593 668 +75
- Partials 230 269 +39
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This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from
developintomaster.[bot] releaseand is excluded from release notes and version bump logic.