Struct NeighborListData¶

Defined in File common.h

Struct Documentation¶

struct deepmd::NeighborListData¶

Public Functions

void copy_from_nlist(const InputNlist &inlist)¶

void shuffle(const std::vector<int> &fwd_map)¶

void shuffle(const deepmd::AtomMap<VALUETYPE> &map)¶

void shuffle_exclude_empty(const std::vector<int> &fwd_map)¶

void make_inlist(InputNlist &inlist)¶

Public Members

std::vector<int> ilist¶

std::vector<std::vector<int>> jlist¶

std::vector<int> numneigh¶

std::vector<int*> firstneigh¶