#include "KIM_SimulatorHeaders.h"
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
Go to the source code of this file.
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void | fcc_cluster_neighborlist (int half, int numberOfParticles, double *coords, double cutoff, NeighList *nl) |
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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) |
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void | create_FCC_cluster (double FCCspacing, int nCellsPerSide, double *coords) |
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int | main () |
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◆ DIM
◆ FALSE
◆ FCCSPACING
◆ MY_ERROR
#define MY_ERROR |
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message | ) |
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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 |
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message | ) |
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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" |
◆ NAMESTRLEN
◆ NCELLSPERSIDE
◆ NCLUSTERPARTS
◆ TRUE
◆ create_FCC_cluster()
void create_FCC_cluster |
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double |
FCCspacing, |
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int |
nCellsPerSide, |
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double * |
coords |
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) |
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◆ fcc_cluster_neighborlist()
void fcc_cluster_neighborlist |
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int |
half, |
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int |
numberOfParticles, |
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double * |
coords, |
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double |
cutoff, |
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NeighList * |
nl |
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) |
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◆ get_cluster_neigh()
int get_cluster_neigh |
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void *const |
dataObject, |
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int const |
numberOfNeighborLists, |
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double const *const |
cutoffs, |
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int const |
neighborListIndex, |
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int const |
particleNumber, |
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int *const |
numberOfNeighbors, |
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int const **const |
neighborsOfParticle |
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) |
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◆ main()