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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
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18
src/pair_table.cpp
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@ -59,9 +59,9 @@ PairTable::~PairTable()
memory->sfree(tables);
if (allocated) {
memory->destroy_2d_int_array(setflag);
memory->destroy_2d_double_array(cutsq);
memory->destroy_2d_int_array(tabindex);
memory->destroy(setflag);
memory->destroy(cutsq);
memory->destroy(tabindex);
}
}
@ -196,13 +196,13 @@ void PairTable::allocate()
allocated = 1;
int nt = atom->ntypes;
setflag = memory->create_2d_int_array(nt+1,nt+1,"pair:setflag");
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;
cutsq = memory->create_2d_double_array(nt+1,nt+1,"pair:cutsq");
tabindex = memory->create_2d_int_array(nt+1,nt+1,"pair:tabindex");
memory->create(cutsq,nt+1,nt+1,"pair:cutsq");
memory->create(tabindex,nt+1,nt+1,"pair:tabindex");
}
/* ----------------------------------------------------------------------
@ -230,9 +230,9 @@ void PairTable::settings(int narg, char **arg)
memory->sfree(tables);
if (allocated) {
memory->destroy_2d_int_array(setflag);
memory->destroy_2d_double_array(cutsq);
memory->destroy_2d_int_array(tabindex);
memory->destroy(setflag);
memory->destroy(cutsq);
memory->destroy(tabindex);
}
allocated = 0;