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Classes | Functions
gausstransform.cpp File Reference
#include "gmxpre.h"
#include "gausstransform.h"
#include <cmath>
#include <algorithm>
#include <array>
#include "gromacs/math/functions.h"
#include "gromacs/math/multidimarray.h"
#include "gromacs/math/utilities.h"
+ Include dependency graph for gausstransform.cpp:

Description

Implements Gaussian function evaluations on lattices and related functionality.

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

Classes

class  gmx::GaussTransform3D::Impl
 Private implementation class for GaussTransform3D. More...
 

Functions

IVec gmx::anonymous_namespace{gausstransform.cpp}::closestIntegerPoint (const RVec &coordinate)
 rounds real-valued coordinate to the closest integer values
 
IVec gmx::anonymous_namespace{gausstransform.cpp}::rangeBeginWithinLattice (const IVec &index, const IVec &range)
 Substracts a range from a three-dimensional integer coordinate and ensures the resulting coordinate is within a lattice. More...
 
IVec gmx::anonymous_namespace{gausstransform.cpp}::rangeEndWithinLattice (const IVec &index, const dynamicExtents3D &extents, const IVec &range)
 Adds a range from a three-dimensional integer coordinate and ensures the resulting coordinate is within a lattice. More...
 
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...