fix the usage of pair_coeff
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The bare `pair_coeff` is not supported in the latest version of LAMMPS. `pair_coeff * *` should be used instead. Fix deepmodeling/deepmd-kit#1201.
AnguseZhang
reviewed
Oct 11, 2021
| @@ -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?
amcadmus
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Oct 11, 2021
Cloudac7
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Dec 1, 2021
The bare `pair_coeff` is not supported in the latest version of LAMMPS. `pair_coeff * *` should be used instead. Fix deepmodeling/deepmd-kit#1201.
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The bare
pair_coeffis not supported in the latest version of LAMMPS.pair_coeff * *should be used instead.Fix deepmodeling/deepmd-kit#1201.