diff --git a/bench-accel/bench_table/in.table b/bench-accel/bench_table/in.table new file mode 100644 index 000000000..364f5565f --- /dev/null +++ b/bench-accel/bench_table/in.table @@ -0,0 +1,32 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +variable num index 500 + +lattice fcc 0.8442 +region box block 0 20 0 20 0 20 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 5 every 1 + +shell rm lj_table.dat +pair_write 1 1 ${num} rsq 0.2 3.0 lj_table.dat LJ + +pair_style table spline ${num} +pair_coeff 1 1 lj_table.dat LJ + +fix 1 all nve + +thermo 10 + +run 100