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Fix stop condition and add Y/A normalization #141

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john-halloran
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The program now correctly stops when objective function improvement slows down. Since we are not yet using a Hessian like the MATLAB, we converge slower and a stricter condition and longer runtime would be needed for the same performance.

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codecov bot commented Apr 8, 2025

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All modified and coverable lines are covered by tests ✅

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##             john-development     #141   +/-   ##
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@sbillinge
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I will merge this, though we should definitely revisit whether we want to be implementing our own optimizer rather than using a standard one....

@john-halloran
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I agree. Already certain portions have been made more standard, such as using cvxpy instead of the custom mkr_box in the original.

@sbillinge sbillinge merged commit 36d2c90 into diffpy:john-development Apr 9, 2025
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2 participants