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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: