Commit 60da95b7 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 7d398e21

src/USER-ACKLAND/compute_ackland_atom.cpp

+7 −0
Original line number Diff line number Diff line
@@ -85,6 +85,13 @@ void ComputeAcklandAtom::init() 
    error->warning("More than one compute ackland/atom");

}



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



void ComputeAcklandAtom::init_list(int id, NeighList *ptr)

{

  list = ptr;

}



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

void ComputeAcklandAtom::compute_peratom()

{

src/USER-ACKLAND/compute_ackland_atom.h

+1 −0
Original line number Diff line number Diff line
@@ -23,6 +23,7 @@ class ComputeAcklandAtom : public Compute { 
  ComputeAcklandAtom(class LAMMPS *, int, char **);

  ~ComputeAcklandAtom();

  void init();

  void init_list(int, class NeighList *);

  void compute_peratom();

  double memory_usage();

src/neighbor.cpp

+1 −1
Original line number Diff line number Diff line
@@ -470,7 +470,7 @@ void Neighbor::init() 


      if (requests[i]->pair && requests[i]->half && requests[i]->skip == 0) {

	for (j = 0; j < nlist; j++)

	  if (requests[i]->pair && requests[j]->full && 

	  if (requests[j]->pair && requests[j]->full && 

	      requests[j]->skip == 0) break;

	if (j < nlist) {

	  requests[i]->half = 0;

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