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]	sigma	the width of the Gaussian to be spread
[in]	nSigma	the range of the Gaussian in multiples of sigma
[in]	scaleToLattice	the coordinate transformation into the spreading lattice

Returns

A Gauss-transform kernel shape