Calibrate optimization lock only during optimization #301
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odespard
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GeorgWa
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Aug 14, 2024
GeorgWa
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Aug 15, 2024
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Calibration occurs using only the precursors in the optimization lock. However, the calibration for the whole library is currently predicted at each step which adds considerably to the time taken for the computation. This changes the code such that the prediction is done only on the optimization lock, with the whole library only being predicted immediately prior to extraction.