densityfittingforceprovider.h File Reference

#include <memory>
#include "gromacs/fileio/checkpoint.h"
#include "gromacs/math/exponentialmovingaverage.h"
#include "gromacs/mdspan/extensions.h"
#include "gromacs/mdtypes/iforceprovider.h"

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Description

Declares force provider for density fitting.

Author

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

Classes
struct	gmx::DensityFittingForceProviderState
	Parameters defining the internal density fitting force provider state. More...
class	gmx::DensityFittingForceProvider
	Implements IForceProvider for density-fitting forces. More...