Struct InputNlist

• Defined in File neighbor_list.h

Struct Documentation

struct 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(int inum_, int *ilist_, int *numneigh_, int **firstneigh_, int nswap, int *sendnum, int *recvnum, int *firstrecv, int **sendlist, int *sendproc, int *recvproc, void *world, int nprocs_ = 1)

inline ~InputNlist()

inline void set_mask(int mask_)

Set mask for this neighbor list.

inline void set_mapping(int *mapping_)

Set mapping for this neighbor list.

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.

int nswap

of swaps to perform = sum of maxneed

int *sendnum

of atoms to send in each swap

int *recvnum

of atoms to recv in each swap

int *firstrecv

where to put 1st recv atom in each swap

int **sendlist

list of atoms to send in each swap

int *sendproc

proc to send to at each swap

int *recvproc

proc to recv from at each swap

void *world

MPI_comm data in lmp.

int mask = 0xFFFFFFFF

mask to the neighbor index

int *mapping = nullptr

mapping from all atoms to real atoms, in the size of nall

int nprocs = 1

number of MPI ranks (1 = single-rank). Settable only via the trailing nprocs_ argument of the comm-aware constructor (LAMMPS pair styles pass comm->nprocs). The lightweight constructors leave it at 1 by construction — they carry no comm metadata (world, sendlist, …), so they cannot drive the with-comm dispatch path even if a non-1 value were forced here. Use this — NOT nswap > 0 — as the “is multi-rank?” predicate: atom_style spin populates nswap even in single-rank.