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fix the usage of pair_coeff #567

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Oct 11, 2021
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2 changes: 1 addition & 1 deletion dpgen/generator/lib/lammps.py
Original file line number Diff line number Diff line change
Expand Up @@ -85,7 +85,7 @@ def make_lammps_input(ensemble,
if ele_temp_a is not None:
keywords += "aparam ${ELE_TEMP}"
ret+= "pair_style deepmd %s out_freq ${THERMO_FREQ} out_file model_devi.out %s\n" % (graph_list, keywords)
ret+= "pair_coeff \n"
ret+= "pair_coeff * *\n"
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Is this change compatible with the previous versions?

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Yes

ret+= "\n"
ret+= "thermo_style custom step temp pe ke etotal press vol lx ly lz xy xz yz\n"
ret+= "thermo ${THERMO_FREQ}\n"
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