diff --git a/examples/water/lmp/in.lammps b/examples/water/lmp/in.lammps index f38db5836b..ea3b5d52cd 100644 --- a/examples/water/lmp/in.lammps +++ b/examples/water/lmp/in.lammps @@ -11,7 +11,9 @@ read_data water.lmp mass 1 16 mass 2 2 +# See https://deepmd.rtfd.io/lammps/ for usage pair_style deepmd frozen_model.pb +# If atom names (O H in this example) are not set in the pair_coeff command, the type_map defined by the training parameter will be used by default. pair_coeff * * O H velocity all create 330.0 23456789 diff --git a/examples/water/lmp/in.plugin.lammps b/examples/water/lmp/in.plugin.lammps index 40b40dbc03..366ee7f379 100644 --- a/examples/water/lmp/in.plugin.lammps +++ b/examples/water/lmp/in.plugin.lammps @@ -14,7 +14,9 @@ mass 2 2 # load the deepmd plugin plugin load libdeepmd_lmp.so +# See https://deepmd.rtfd.io/lammps/ for usage pair_style deepmd frozen_model.pb +# If atom names (O H in this example) are not set in the pair_coeff command, the type_map defined by the training parameter will be used by default. pair_coeff * * O H velocity all create 330.0 23456789