diff --git a/lammps/force_lj.c b/lammps/force_lj.c index 82fe953..ec1297b 100644 --- a/lammps/force_lj.c +++ b/lammps/force_lj.c @@ -136,6 +136,8 @@ double computeForceLJHalfNeigh(Parameter *param, Atom *atom, Neighbor *neighbor, const int type_i = atom->type[i]; #endif + // Pragma required to vectorize the inner loop + #pragma simd reduction(+: fix,fiy,fiz) for(int k = 0; k < numneighs; k++) { int j = neighs[k]; MD_FLOAT delx = xtmp - atom_x(j);