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feat: add SequentialPDFFitRunner#17

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sbillinge merged 1 commit intoPDF-bl:mainfrom
ycexiao:sequential
Feb 2, 2026
Merged

feat: add SequentialPDFFitRunner#17
sbillinge merged 1 commit intoPDF-bl:mainfrom
ycexiao:sequential

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@ycexiao
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@ycexiao ycexiao commented Feb 2, 2026

What problem does this PR address?

Implement SequentialPDFFitRunner.

What should the reviewer(s) do?

Usage is in docs/example/sequential_fit_example.py. Run sequential_fit_example.py:
Screenshot 2026-02-01 222143

Screenshot 2026-02-01 222055

The starting residual is large, but it is consistent with the results from diffpy.cmi scripts. It might be due to a non-optimal initial guess and/or fit instructions.

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✅ All modified and coverable lines are covered by tests.

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@ycexiao ycexiao marked this pull request as ready for review February 2, 2026 03:37
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ycexiao commented Feb 2, 2026

@sbillinge, it's ready for review.

@sbillinge sbillinge merged commit cef9389 into PDF-bl:main Feb 2, 2026
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@ycexiao ycexiao deleted the sequential branch February 3, 2026 19:36
@ycexiao ycexiao mentioned this pull request Feb 4, 2026
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3 participants