Struct InputNlist

Struct InputNlist#

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)#
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