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fix: fix example to pass correct Molecule structure - #93

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sbillinge merged 1 commit into
diffpy:mainfrom
stevenhua0320:fix-example
Oct 9, 2026
Merged

sbillinge merged 1 commit into
diffpy:mainfrom
stevenhua0320:fix-example

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@stevenhua0320

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@sbillinge ready to review. Closes #73

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codecov Bot commented Oct 8, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.67%. Comparing base (1eeefac) to head (dc51ded).

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #93   +/-   ##
=======================================
  Coverage   98.67%   98.67%           
=======================================
  Files          27       27           
  Lines        3844     3844           
=======================================
  Hits         3793     3793           
  Misses         51       51           
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@sbillinge
sbillinge merged commit b1c2ebd into diffpy:main Oct 9, 2026
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compareC60PDFs_objcryst example weird result

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