#include <stdlib.h>
#include <iomanip>
#include <string>
#include <cmath>
#include "KIM_API.h"
#include "KIM_API_status.h"
Go to the source code of this file.
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char const *const | descriptor () |
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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 *kimmdl, int *mode, int *request, int *part, int *numnei, int **nei1part, double **Rij) |
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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
◆ FCCSPACING
◆ NAMESTRLEN
◆ NCELLSPERSIDE
◆ NCLUSTERPARTS
◆ REPORT_ERROR
#define REPORT_ERROR |
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LN, |
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FL, |
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MSG, |
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STAT |
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◆ 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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◆ descriptor()
char const* const descriptor |
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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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◆ get_cluster_neigh()
int get_cluster_neigh |
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void * |
kimmdl, |
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int * |
mode, |
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int * |
request, |
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int * |
part, |
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int * |
numnei, |
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int ** |
nei1part, |
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double ** |
Rij |
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) |
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◆ main()