C++ (Cpp) FixOMP::get_neighbor Examples

Example #1

File: fix_qeq_comb_omp.cpp Project: RakeshArul/lammps

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;
}

Example #2

File: fix_peri_neigh_omp.cpp Project: hhuangae/liggghts-src

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;
}