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Revisit optimization / reweighting framework #138

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cwalker7 opened this issue Dec 20, 2021 · 0 comments
Open

Revisit optimization / reweighting framework #138

cwalker7 opened this issue Dec 20, 2021 · 0 comments

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@cwalker7
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Revisit the functions for optimizing the heat capacity full-width half-max in parameters.optimize, which are not yet complete.

An important feature remaining is determining when the configurational overlap (number of effective samples) is too small to continue the optimization, at which point a new simulation needs to be run.

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