void FixQEQCombOMP::init()
{
if (!atom->q_flag)
error->all(FLERR,"Fix qeq/comb/omp requires atom attribute q");
if (NULL != force->pair_match("comb3",0))
error->all(FLERR,"No support for comb3 currently available in USER-OMP");
comb = (PairComb *) force->pair_match("comb/omp",1);
if (comb == NULL)
comb = (PairComb *) force->pair_match("comb",1);
if (comb == NULL)
error->all(FLERR,"Must use pair_style comb or "
"comb/omp with fix qeq/comb/omp");
if (strstr(update->integrate_style,"respa"))
nlevels_respa = ((Respa *) update->integrate)->nlevels;
ngroup = group->count(igroup);
if (ngroup == 0) error->all(FLERR,"Fix qeq/comb group has no atoms");
// determine status of neighbor flag of the omp package command
int ifix = modify->find_fix("package_omp");
int use_omp = 0;
if (ifix >=0) {
FixOMP * fix = static_cast<FixOMP *>(lmp->modify->fix[ifix]);
if (fix->get_neighbor()) use_omp = 1;
}
int irequest = neighbor->request(this,instance_me);
neighbor->requests[irequest]->omp = use_omp;
}
void FixPeriNeighOMP::init()
{
if (!first) return;
// determine status of neighbor flag of the omp package command
int ifix = modify->find_fix("package_omp");
int use_omp = 0;
if (ifix >=0) {
FixOMP * fix = static_cast<FixOMP *>(lmp->modify->fix[ifix]);
if (fix->get_neighbor()) use_omp = 1;
}
// need a full neighbor list once
int irequest = neighbor->request((void *) this);
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->fix = 1;
neighbor->requests[irequest]->half = 0;
neighbor->requests[irequest]->full = 1;
neighbor->requests[irequest]->omp = use_omp;
neighbor->requests[irequest]->occasional = 1;
}