From 39ededd46cf7f4621fd584a37bdc77d8fd39dbe9 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 18 Oct 2017 11:24:44 -0400 Subject: [PATCH] update respa/omp integrator style for neighbor list refactor --- src/USER-OMP/respa_omp.cpp | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/USER-OMP/respa_omp.cpp b/src/USER-OMP/respa_omp.cpp index 738538a209..aa4aa65a4f 100644 --- a/src/USER-OMP/respa_omp.cpp +++ b/src/USER-OMP/respa_omp.cpp @@ -108,6 +108,7 @@ void RespaOMP::setup() domain->box_too_small_check(); modify->setup_pre_neighbor(); neighbor->build(); + modify->setup_post_neighbor(); neighbor->ncalls = 0; // compute all forces @@ -200,6 +201,7 @@ void RespaOMP::setup_minimal(int flag) domain->box_too_small_check(); modify->setup_pre_neighbor(); neighbor->build(); + modify->setup_post_neighbor(); neighbor->ncalls = 0; } @@ -311,6 +313,10 @@ void RespaOMP::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();