Function DP_NewNlist_comm

Function DP_NewNlist_comm#

Function Documentation#

DP_Nlist *DP_NewNlist_comm(int inum_, int *ilist_, int *numneigh_, int **firstneigh_, int nswap, int *sendnum, int *recvnum, int *firstrecv, int **sendlist, int *sendproc, int *recvproc, void *world)#

Create a new neighbor list with communication capabilities.

This function extends DP_NewNlist by adding support for parallel communication, allowing the neighbor list to be used in distributed environments.

Parameters:

  • inum_ – [in] Number of core region atoms.

  • ilist_ – [in] Array storing the core region atom’s index.

  • numneigh_ – [in] Array storing the core region atom’s neighbor atom number.

  • firstneigh_ – [in] Array storing the core region atom’s neighbor index.

  • nswap – [in] Number of swaps to be performed in communication.

  • sendnum – [in] Array storing the number of atoms to send for each swap.

  • recvnum – [in] Array storing the number of atoms to receive for each swap.

  • firstrecv – [in] Index of the first receive operation for each swap.

  • sendlist – [in] List of atoms to be sent for each swap.

  • sendproc – [in] Array of processor IDs to send atoms to for each swap.

  • recvproc – [in] Array of processor IDs from which atoms are received for each swap.

  • world – [in] Pointer to the MPI communicator or similar communication world used for the operation.

Returns:

A pointer to the initialized neighbor list with communication capabilities.