more changes to rRESPA neighbor lists

This commit is contained in:
Steve Plimpton
2017-10-17 17:33:01 -06:00
parent 59de1a71c8
commit 0966e14e73
41 changed files with 417 additions and 624 deletions

View File

@ -442,6 +442,7 @@ void Respa::setup(int flag)
domain->box_too_small_check();
modify->setup_pre_neighbor();
neighbor->build();
modify->setup_post_neighbor();
neighbor->ncalls = 0;
// compute all forces
@ -517,6 +518,7 @@ void Respa::setup_minimal(int flag)
domain->box_too_small_check();
modify->setup_pre_neighbor();
neighbor->build();
modify->setup_post_neighbor();
neighbor->ncalls = 0;
}
@ -668,6 +670,11 @@ void Respa::recurse(int ilevel)
}
neighbor->build();
timer->stamp(Timer::NEIGH);
if (modify->n_post_neighbor) {
modify->post_neighbor();
timer->stamp(Timer::MODIFY);
}
} else if (ilevel == 0) {
timer->stamp();
comm->forward_comm();