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Classes
densityfittingforceprovider.h File Reference
#include <memory>
#include "gromacs/domdec/localatomset.h"
#include "gromacs/math/coordinatetransformation.h"
#include "gromacs/math/exponentialmovingaverage.h"
#include "gromacs/mdspan/extensions.h"
#include "gromacs/mdtypes/iforceprovider.h"
#include "gromacs/utility/classhelpers.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...