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densityfitting.cpp File Reference
#include "gmxpre.h"
#include "densityfitting.h"
#include <memory>
#include <numeric>
#include "gromacs/domdec/localatomsetmanager.h"
#include "gromacs/fileio/checkpoint.h"
#include "gromacs/fileio/mrcdensitymap.h"
#include "gromacs/math/multidimarray.h"
#include "gromacs/mdlib/broadcaststructs.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/mdtypes/imdmodule.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/mdmodulenotification.h"
#include "densityfittingforceprovider.h"
#include "densityfittingoptions.h"
#include "densityfittingoutputprovider.h"
+ Include dependency graph for densityfitting.cpp:

Description

Declares data structure and utilities for density fitting.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes

class  gmx::anonymous_namespace{densityfitting.cpp}::DensityFittingSimulationParameterSetup
 Collect density fitting parameters only available during simulation setup. More...
 
class  gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting
 Density fitting. More...