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#include "gmxpre.h"
#include "bias.h"
#include <cassert>
#include <cinttypes>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <algorithm>
#include <memory>
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/functions.h"
#include "gromacs/math/utilities.h"
#include "gromacs/mdtypes/awh_history.h"
#include "gromacs/mdtypes/awh_params.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
#include "correlationgrid.h"
#include "correlationhistory.h"
#include "pointstate.h"
+ Include dependency graph for bias.cpp:

Description

Implements the Bias class.

Author
Viveca Lindahl
Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions

static int64_t gmx::countSamples (const std::vector< PointState > &pointState)
 Count the total number of samples / sample weight over all grid points. More...
 
static void gmx::ensureStateAndRunConsistency (const BiasParams &params, const BiasState &state)
 Check if the state (loaded from checkpoint) and the run are consistent. More...