Struct NeighborListData
Defined in File common.h
Struct Documentation
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struct NeighborListData
Public Functions
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void copy_from_nlist(const InputNlist &inlist)
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void shuffle(const std::vector<int> &fwd_map)
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void shuffle_exclude_empty(const std::vector<int> &fwd_map)
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void make_inlist(InputNlist &inlist)
Public Members
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std::vector<int> ilist
Array stores the core region atom’s index.
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std::vector<std::vector<int>> jlist
Array stores the core region atom’s neighbor index.
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std::vector<int> numneigh
Array stores the number of neighbors of core region atoms.
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std::vector<int*> firstneigh
Array stores the the location of the first neighbor of core region atoms.
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void copy_from_nlist(const InputNlist &inlist)