Code

Feature optimise lever#134

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chryswoods merged 9 commits intodevelOpenBioSim/sire:develfrom feature_optimise_leverOpenBioSim/sire:feature_optimise_leverCopy head branch name to clipboardDec 8, 2023

+339-79

Commits

Commits on Nov 17, 2023

• Put the LambdaSchedule.morph function behind a cache so that the perturbed

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• Removing an old comment

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Commits on Nov 18, 2023

• Added code (commented out) that uses the new OpenMM optimised parameter update

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Commits on Nov 20, 2023

• Added a cmake test and define guard so that the updateSomeParametersInContext code

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Commits on Dec 4, 2023

• Merge branch 'devel' of https://github.com/openbiosim/sire into feature_optimise_lever

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Commits on Dec 5, 2023

• Added the distinct wrapper for out-of-memory exceptions

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• Updated the changelog

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• Added a fix for the annoying bug that loading a broken input file will not

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• Updated the code so that it uses sig=1e-9 eps=0 rather than sig=1 eps=0, as this

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