#include <memory>
#include <vector>
#include "gromacs/math/multidimarray.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdspan/extensions.h"
#include "gromacs/mdspan/mdspan.h"
#include "gromacs/utility/real.h"

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Description

Declares Gaussian function evaluations on lattices and related functionality.

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

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...

class	gmx::GaussianOn1DLattice
	Provide result of Gaussian function evaluation on a one-dimensional lattice. More...

struct	gmx::GaussianSpreadKernelParameters
	Parameters for density spreading kernels. More...

struct	gmx::GaussianSpreadKernelParameters::Shape
	Shape parameters for Gaussian spreading kernels describe the kernel shape. More...

struct	gmx::GaussianSpreadKernelParameters::PositionAndAmplitude
	Parameters that describe the kernel position and amplitude. More...

class	gmx::GaussTransform3D
	Sums Gaussian values at three dimensional lattice coordinates. The Gaussian is defined as $A \frac{1}{\sigma^3 \sqrt(2^3\pi^3)} * \exp(-\frac{(x-x0)^2}{2 \sigma^2})$ . More...

class	gmx::IntegerBox
	A 3-orthotope over integer intervals. More...

class	gmx::OuterProductEvaluator
	Evaluate the outer product of two number ranges. Keeps the memory for the outer product allocated. More...

Functions
IntegerBox	gmx::spreadRangeWithinLattice (const IVec &center, dynamicExtents3D extent, IVec range)
	Construct a box that holds all indices that are not more than a given range remote from center coordinates and still within a given lattice extent. More...

Description

Classes

Functions