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gmx::anonymous_namespace{histogramsize.cpp} Namespace Reference

Functions

bool histogramIsEquilibrated (const std::vector< PointState > &pointStates)
 Checks if the histogram has equilibrated to the target distribution. More...
 

Function Documentation

bool gmx::anonymous_namespace{histogramsize.cpp}::histogramIsEquilibrated ( const std::vector< PointState > &  pointStates)

Checks if the histogram has equilibrated to the target distribution.

The histogram is considered equilibrated if, for a minimum fraction of the target region, the relative error of the sampled weight relative to the target is less than a tolerance value.

Parameters
[in]pointStatesThe state of the bias points.
Returns
true if the histogram is equilibrated.