Commit 151b3f55 authored by Tim Mattox's avatar Tim Mattox
Browse files

USER-DPD: Save pointer to the NPair used to create the NeighList 

Gives a user of NeighList access to data stored in a custom NPair
parent 52aaad90

src/neigh_list.cpp

+1 −0
Original line number Diff line number Diff line
@@ -79,6 +79,7 @@ NeighList::NeighList(LAMMPS *lmp) : Pointers(lmp) 
  // USER-DPD package



  ndxAIR_ssa = NULL;

  np = NULL;

}



/* ---------------------------------------------------------------------- */

src/neigh_list.h

+1 −0
Original line number Diff line number Diff line
@@ -82,6 +82,7 @@ class NeighList : protected Pointers { 


  int AIRct_ssa[8]; // count of how many atoms in each AIR

  uint16_t (*ndxAIR_ssa)[8]; // for each atom, last neighbor index of each AIR

  class NPair *np;           // ptr to NPair instance I depend on



  // methods

src/neighbor.cpp

+1 −1
Original line number Diff line number Diff line
@@ -785,7 +785,7 @@ int Neighbor::init_pair() 
    }



    PairCreator pair_creator = pairclass[flag-1];

    neigh_pair[i] = pair_creator(lmp);

    lists[i]->np = neigh_pair[i] = pair_creator(lmp);

    neigh_pair[i]->post_constructor(requests[i]);

    neigh_pair[i]->istyle = flag;

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