Struct NeighborListData#
Defined in File common.h
Struct Documentation#
- struct NeighborListData#
Public Functions
- void copy_from_nlist(const InputNlist &inlist, const int natoms = -1)#
Copy the neighbor list from an InputNlist.
- Parameters:
inlist – [in] The input neighbor list.
natoms – [in] The number of atoms to copy. If natoms is -1, copy all atoms.
- void shuffle(const std::vector<int> &fwd_map)#
- void shuffle_exclude_empty(const std::vector<int> &fwd_map)#
- void make_inlist(InputNlist &inlist)#
- void padding()#
Public Members
- std::vector<int> ilist#
Array stores the core region atom’s index.
- std::vector<std::vector<int>> jlist#
Array stores the core region atom’s neighbor index.
- std::vector<int> numneigh#
Array stores the number of neighbors of core region atoms.
- std::vector<int*> firstneigh#
Array stores the the location of the first neighbor of core region atoms.
- void copy_from_nlist(const InputNlist &inlist, const int natoms = -1)#