histogramsize.h File Reference

#include <cstdio>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"

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Description

Declares the HistogramSize class.

The data members of this class keep track of global size and update related properties of the bias histogram and the evolution of the histogram size. Initially histogramSize_ (and thus the convergence rate) is controlled heuristically to get good initial estimates, i.e. increase the robustness of the method.

Author

Viveca Lindahl

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::HistogramSize
	Tracks global size related properties of the bias histogram. More...