diff --git a/tests/in.melt-lj96-cut b/tests/in.melt-lj96-cut new file mode 100644 index 000000000..5fb4a4d5b --- /dev/null +++ b/tests/in.melt-lj96-cut @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +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 3.0 87287 + +pair_style lj96/cut 2.5 +pair_coeff * * 1.0 1.0 4.0 + + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve + +#dump id all atom 50 dump.melt + +thermo 50 +run 250 diff --git a/tests/in.melt-lj96-cut-omp b/tests/in.melt-lj96-cut-omp new file mode 100644 index 000000000..903128e59 --- /dev/null +++ b/tests/in.melt-lj96-cut-omp @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +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 3.0 87287 + +pair_style lj96/cut/omp 2.5 +pair_coeff * * 1.0 1.0 4.0 + + +neighbor 0.3 bin +neigh_modify every 20 delay 0 check no + +fix 1 all nve + +#dump id all atom 50 dump.melt + +thermo 50 +run 250