#include "KIM_LogMacros.hpp"
#include "KIM_ModelDriverHeaders.hpp"
#include <cmath>
#include <cstdio>
#include <vector>

Classes
class	LennardJones612Implementation

Macros
#define	DIMENSION 3

#define	ONE 1.0

#define	HALF 0.5

#define	MAX_PARAMETER_FILES 1

#define	PARAM_SHIFT_INDEX 0

#define	PARAM_CUTOFFS_INDEX 1

#define	PARAM_EPSILONS_INDEX 2

#define	PARAM_SIGMAS_INDEX 3

#define	LENNARD_JONES_PHI(exshift)

#define	KIM_LOGGER_OBJECT_NAME modelCompute

Typedefs
typedef int	GetNeighborFunction(void const const, int const, int const, int const **const)

typedef double	VectorOfSizeDIM[DIMENSION]

typedef double	VectorOfSizeSix[6]

Functions
void	AllocateAndInitialize2DArray (double **&arrayPtr, int const extentZero, int const extentOne)

void	Deallocate2DArray (double **&arrayPtr)

Macro Definition Documentation

◆ DIMENSION

#define DIMENSION 3

Definition at line 37 of file LennardJones612Implementation.hpp.

◆ HALF

#define HALF 0.5

Definition at line 39 of file LennardJones612Implementation.hpp.

◆ KIM_LOGGER_OBJECT_NAME

#define KIM_LOGGER_OBJECT_NAME modelCompute

Definition at line 282 of file LennardJones612Implementation.hpp.

◆ LENNARD_JONES_PHI

#define LENNARD_JONES_PHI ( exshift )

Value:

  phi = r6iv                                               \
        * (constFourEpsSig12_2D[iSpecies][jSpecies] * r6iv \
           - constFourEpsSig6_2D[iSpecies][jSpecies]) exshift;

Definition at line 275 of file LennardJones612Implementation.hpp.