#include <stdlib.h>
#include <iostream>
#include <iomanip>
#include <string>
#include <cmath>
#include "KIM_LogVerbosity.hpp"
#include "KIM_LanguageName.hpp"
#include "KIM_DataType.hpp"
#include "KIM_SpeciesName.hpp"
#include "KIM_Numbering.hpp"
#include "KIM_Model.hpp"
#include "KIM_ArgumentName.hpp"
#include "KIM_CallbackName.hpp"
#include "KIM_SupportStatus.hpp"
#include "KIM_UnitSystem.hpp"
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 const *const dataObject, int const numberOfCutoffs, 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
◆ FCCSPACING
◆ MY_ERROR
#define MY_ERROR |
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message | ) |
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Value:{ \
std::cout << "* Error : \"" << message << "\" : " \
<< __LINE__ << ":" << __FILE__ << std::endl; \
exit(1); \
}
Definition at line 58 of file ex_test_Ar_fcc_cluster_cpp.cpp.
◆ MY_WARNING
#define MY_WARNING |
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message | ) |
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Value:{ \
std::cout << "* Error : \"" << message << "\" : " \
<< __LINE__ << ":" << __FILE__ << std::endl; \
}
Definition at line 65 of file ex_test_Ar_fcc_cluster_cpp.cpp.
◆ NAMESTRLEN
◆ NCELLSPERSIDE
◆ NCLUSTERPARTS
◆ 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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◆ 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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) |
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◆ get_cluster_neigh()
int get_cluster_neigh |
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void const *const |
dataObject, |
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int const |
numberOfCutoffs, |
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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()