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

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This commit is contained in:
sjplimp
2007-10-04 19:32:14 +00:00
parent 7d398e213b
commit 60da95b755
3 changed files with 9 additions and 1 deletions
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7
src/USER-ACKLAND/compute_ackland_atom.cpp
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@ -85,6 +85,13 @@ void ComputeAcklandAtom::init()
error->warning("More than one compute ackland/atom"); error->warning("More than one compute ackland/atom");
} }
/* ---------------------------------------------------------------------- */
void ComputeAcklandAtom::init_list(int id, NeighList *ptr)
{
list = ptr;
}
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void ComputeAcklandAtom::compute_peratom() void ComputeAcklandAtom::compute_peratom()
{ {

1
src/USER-ACKLAND/compute_ackland_atom.h
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@ -23,6 +23,7 @@ class ComputeAcklandAtom : public Compute {
ComputeAcklandAtom(class LAMMPS *, int, char **); ComputeAcklandAtom(class LAMMPS *, int, char **);
~ComputeAcklandAtom(); ~ComputeAcklandAtom();
void init(); void init();
void init_list(int, class NeighList *);
void compute_peratom(); void compute_peratom();
double memory_usage(); double memory_usage();

2
src/neighbor.cpp
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@ -470,7 +470,7 @@ void Neighbor::init()
if (requests[i]->pair && requests[i]->half && requests[i]->skip == 0) { if (requests[i]->pair && requests[i]->half && requests[i]->skip == 0) {
for (j = 0; j < nlist; j++) 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; requests[j]->skip == 0) break;
if (j < nlist) { if (j < nlist) {
requests[i]->half = 0; requests[i]->half = 0;