Code

Add new lm minimiser#208

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RichardWaiteSTFC merged 19 commits intomasterSpinW/spinw:masterfrom add_new_LM_minimiserSpinW/spinw:add_new_LM_minimiserCopy head branch name to clipboardNov 18, 2024

+516-71

Commits

Commits on Sep 27, 2024

• Optional inital cost_val and return jacobuan in estimate_hessian

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• Add function to evaluate weighted residuals in cost func wrapper

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• Add LM minimiser (currently only supports scalar functions)

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Commits on Sep 30, 2024

• Support least_squares residuals in lm4

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• Improve inversion for ill-conditioned matrices

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• Add missing factors of 2

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Commits on Oct 1, 2024

• Fix bug in finite difference not resetting parameter vector

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• Fix bug with diff step length if parameters fixed

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• Fix bug where absolute and fracatinal step confused if 1 parameter

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• Add lm4 to optimiser to unit test

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Commits on Nov 1, 2024

• Merge branch 'master' into add_new_LM_minimiser

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Commits on Nov 4, 2024

• Add support for function handles returning residal arrays

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• Support resid_handle option in sw_fitpowder

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Commits on Nov 5, 2024

• Support resid_handle in bg fitting of pwader class

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Commits on Nov 15, 2024

• Correct doc-strings for simplex and lm4

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• Change nu_dn default to 5 after benchmarking with NIST datasets

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• Use lsqnonlin method to reset invalid parameters within bounds

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• Add vary arg to simplex and lm4 (and tests)

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Commits on Nov 18, 2024

• Fix typos in doc string

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