gmx::anonymous_namespace{histogramsize.cpp} Namespace Reference

Functions
bool	histogramIsEquilibrated (ArrayRef< const PointState > pointStates, const double errorTolerance)
	Checks if the histogram has equilibrated to the target distribution. More...

Function Documentation

bool gmx::anonymous_namespace{histogramsize.cpp}::histogramIsEquilibrated	(	ArrayRef< const PointState >	pointStates,
		const double	errorTolerance
	)

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]	pointStates	The state of the bias points.
[in]	errorTolerance	The histogram needs to be within this tolerance over 80% of the range

Returns

true if the histogram is equilibrated.