tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update respa/omp integrator style for neighbor list refactor

Browse Source
This commit is contained in:
Axel Kohlmeyer
2017-10-18 11:24:44 -04:00
parent 2c7528811d
commit 39ededd46c
1 changed files with 6 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/USER-OMP/respa_omp.cpp
View File

@ -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();