We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
pair_coeff
1 parent d5e78e6 commit 55a2df8Copy full SHA for 55a2df8
dpgen/generator/lib/lammps.py
@@ -85,7 +85,7 @@ def make_lammps_input(ensemble,
85
if ele_temp_a is not None:
86
keywords += "aparam ${ELE_TEMP}"
87
ret+= "pair_style deepmd %s out_freq ${THERMO_FREQ} out_file model_devi.out %s\n" % (graph_list, keywords)
88
- ret+= "pair_coeff \n"
+ ret+= "pair_coeff * *\n"
89
ret+= "\n"
90
ret+= "thermo_style custom step temp pe ke etotal press vol lx ly lz xy xz yz\n"
91
ret+= "thermo ${THERMO_FREQ}\n"
0 commit comments