diff --git a/bench-accel/bench_nm_long/in.nm_long b/bench-accel/bench_nm_long/in.nm_long new file mode 100644 index 0000000000..f458cf22f8 --- /dev/null +++ b/bench-accel/bench_nm_long/in.nm_long @@ -0,0 +1,35 @@ +# 3d Lennard-Jones melt + +units real +atom_style charge + +lattice fcc 8.0 +region box block 0 20 0 20 0 20 + +create_box 2 box +create_atoms 1 box +create_atoms 2 box +group cation type 1 +group anion type 2 +mass * 1.0 +displace_atoms anion move 0.5 0.5 0.5 units lattice + + +mass 1 20.0 +set type 1 charge 1.0 +set type 2 charge -1.0 + +velocity all create 3000.0 87287 loop geom + +pair_style nm/cut/coul/long 12.0 +pair_coeff * * 0.01 5.4 8.0 7.0 +kspace_style pppm 1.0e-5 + +neighbor 2.3 bin +neigh_modify delay 2 every 1 + +fix 1 all nve + +thermo 10 + +run 100