Struct InputNlist

Struct Documentation

struct deepmd::InputNlist

Construct InputNlist with the input LAMMPS nbor list info.

Public Functions

inline InputNlist()
inline InputNlist(int inum_, int *ilist_, int *numneigh_, int **firstneigh_)
inline ~InputNlist()

Public Members

int inum

Number of core region atoms.

int *ilist

Array stores the core region atom’s index.

int *numneigh

Array stores the core region atom’s neighbor atom number.

int **firstneigh

Array stores the core region atom’s neighbor index.