kim-api  2.0.3-git+v2.0.2-git-14-gf1578e2f.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Classes | Macros | Functions
ex_test_Ar_fcc_cluster.c File Reference
#include "KIM_SimulatorHeaders.h"
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
Include dependency graph for ex_test_Ar_fcc_cluster.c:

Go to the source code of this file.

Classes

struct  NeighList
 

Macros

#define TRUE   1
 
#define FALSE   0
 
#define NAMESTRLEN   128
 
#define NAMESTRFMT   "%127s"
 
#define FCCSPACING   5.260
 
#define DIM   3
 
#define NCELLSPERSIDE   2
 
#define NCLUSTERPARTS
 
#define MY_ERROR(message)
 
#define MY_WARNING(message)
 

Functions

void fcc_cluster_neighborlist (int half, int numberOfParticles, double *coords, double cutoff, NeighList *nl)
 
int get_cluster_neigh (void *const dataObject, int const numberOfNeighborLists, double const *const cutoffs, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
 
void create_FCC_cluster (double FCCspacing, int nCellsPerSide, double *coords)
 
int main ()
 

Macro Definition Documentation

◆ DIM

#define DIM   3

Definition at line 45 of file ex_test_Ar_fcc_cluster.c.

◆ FALSE

#define FALSE   0

Definition at line 39 of file ex_test_Ar_fcc_cluster.c.

◆ FCCSPACING

#define FCCSPACING   5.260

Definition at line 44 of file ex_test_Ar_fcc_cluster.c.

◆ MY_ERROR

#define MY_ERROR (   message)
Value:
{ \
printf("* Error : \"%s\" %d:%s\n", message, __LINE__, __FILE__); \
exit(1); \
}

Definition at line 52 of file ex_test_Ar_fcc_cluster.c.

◆ MY_WARNING

#define MY_WARNING (   message)
Value:
{ \
printf("* WARNING : \"%s\" %d:%s\n", message, __LINE__, __FILE__); \
}

Definition at line 58 of file ex_test_Ar_fcc_cluster.c.

◆ NAMESTRFMT

#define NAMESTRFMT   "%127s"

Definition at line 42 of file ex_test_Ar_fcc_cluster.c.

◆ NAMESTRLEN

#define NAMESTRLEN   128

Definition at line 41 of file ex_test_Ar_fcc_cluster.c.

◆ NCELLSPERSIDE

#define NCELLSPERSIDE   2

Definition at line 46 of file ex_test_Ar_fcc_cluster.c.

◆ NCLUSTERPARTS

#define NCLUSTERPARTS
Value:

Definition at line 47 of file ex_test_Ar_fcc_cluster.c.

◆ TRUE

#define TRUE   1

Definition at line 38 of file ex_test_Ar_fcc_cluster.c.

Function Documentation

◆ create_FCC_cluster()

void create_FCC_cluster ( double  FCCspacing,
int  nCellsPerSide,
double *  coords 
)

Definition at line 364 of file ex_test_Ar_fcc_cluster.c.

◆ fcc_cluster_neighborlist()

void fcc_cluster_neighborlist ( int  half,
int  numberOfParticles,
double *  coords,
double  cutoff,
NeighList nl 
)

Definition at line 462 of file ex_test_Ar_fcc_cluster.c.

◆ get_cluster_neigh()

int get_cluster_neigh ( void *const  dataObject,
int const  numberOfNeighborLists,
double const *const  cutoffs,
int const  neighborListIndex,
int const  particleNumber,
int *const  numberOfNeighbors,
int const **const  neighborsOfParticle 
)

Definition at line 511 of file ex_test_Ar_fcc_cluster.c.

◆ main()

int main ( )

Definition at line 91 of file ex_test_Ar_fcc_cluster.c.