update respa/omp integrator style for neighbor list refactor (39ededd4) · Commits · 郑智淋 / lammps

src/USER-OMP/respa_omp.cpp

+6 −0

Original line number	Diff line number	Diff line
		@@ -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();