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docs: add links to documentation in LAMMPS input #2453

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Merged
wanghan-iapcm merged 2 commits into from
Apr 15, 2023
Merged

docs: add links to documentation in LAMMPS input #2453

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44b01b5
docs: add links to documentation in LAMMPS input
njzjz Apr 11, 2023
67c2a49
add comments for pair_coeff
njzjz Apr 14, 2023
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2 changes: 2 additions & 0 deletions examples/water/lmp/in.lammps
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Expand Up @@ -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
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2 changes: 2 additions & 0 deletions examples/water/lmp/in.plugin.lammps
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Expand Up @@ -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
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njzjz marked this conversation as resolved.

velocity all create 330.0 23456789
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