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