Gromacs
2024.4
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#include "gmxpre.h"
#include "histogramsize.h"
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <algorithm>
#include "gromacs/mdtypes/awh_history.h"
#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
#include "biasparams.h"
#include "pointstate.h"
Implements the HistogramSize class.
Functions | |
bool | gmx::anonymous_namespace{histogramsize.cpp}::histogramIsEquilibrated (ArrayRef< const PointState > pointStates) |
Checks if the histogram has equilibrated to the target distribution. More... | |