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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:36:17 +00:00
parent 1cda7f63aa
commit 3428df4c4b
6 changed files with 29 additions and 35 deletions
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14
src/pair_table.cpp
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@ -179,15 +179,15 @@ void PairTable::compute(int eflag, int vflag)
void PairTable::allocate()
{
allocated = 1;
int nt = atom->ntypes;
const int nt = atom->ntypes + 1;
memory->create(setflag,nt+1,nt+1,"pair:setflag");
for (int i = 1; i <= nt; i++)
for (int j = i; j <= nt; j++)
setflag[i][j] = 0;
memory->create(setflag,nt,nt,"pair:setflag");
memory->create(cutsq,nt,nt,"pair:cutsq");
memory->create(tabindex,nt,nt,"pair:tabindex");
memory->create(cutsq,nt+1,nt+1,"pair:cutsq");
memory->create(tabindex,nt+1,nt+1,"pair:tabindex");
memset(&setflag[0][0],0,nt*nt*sizeof(int));
memset(&cutsq[0][0],0,nt*nt*sizeof(double));
memset(&tabindex[0][0],0,nt*nt*sizeof(int));
}
/* ----------------------------------------------------------------------