diff --git a/doc/third-party/lammps-command.md b/doc/third-party/lammps-command.md index fd8aab7c52..25a77f8670 100644 --- a/doc/third-party/lammps-command.md +++ b/doc/third-party/lammps-command.md @@ -319,6 +319,6 @@ For example, when `water.pb` is trained against the PBE0 functional, the simulat ```lammps pair_style hybrid/overlay deepmd water.pb dispersion/d3 original pbe0 30.0 20.0 -pair_coeff * * O H -pair_coeff * * O H +pair_coeff * * deepmd O H +pair_coeff * * dispersion/d3 O H ```