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gmx::anonymous_namespace{densityfittingforceprovider.cpp} Namespace Reference

Functions

GaussianSpreadKernelParameters::Shape makeSpreadKernel (real sigma, real nSigma, const ScaleCoordinates &scaleToLattice)
 Generate the spread kernel from Gaussian parameters. More...
 

Function Documentation

GaussianSpreadKernelParameters::Shape gmx::anonymous_namespace{densityfittingforceprovider.cpp}::makeSpreadKernel ( real  sigma,
real  nSigma,
const ScaleCoordinates &  scaleToLattice 
)

Generate the spread kernel from Gaussian parameters.

Parameters
[in]sigmathe width of the Gaussian to be spread
[in]nSigmathe range of the Gaussian in multiples of sigma
[in]scaleToLatticethe coordinate transformation into the spreading lattice
Returns
A Gauss-transform kernel shape