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write_coeff command
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LAMMPS documentation
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Index
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Tutorials
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Commands
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<li
class=
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class=
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href=
"angle_coeff.html"
>
angle_coeff command
</a></li>
<li
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class=
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"angle_style.html"
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angle_style command
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atom_modify command
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atom_style command
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balance command
</a></li>
<li
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><a
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href=
"bond_coeff.html"
>
bond_coeff command
</a></li>
<li
class=
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><a
class=
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href=
"bond_style.html"
>
bond_style command
</a></li>
<li
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bond_write command
</a></li>
<li
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boundary command
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box command
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change_box command
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clear command
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comm_modify command
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comm_style command
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compute command
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compute_modify command
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create_atoms command
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create_bonds command
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create_box command
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delete_atoms command
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delete_bonds command
</a></li>
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dielectric command
</a></li>
<li
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dihedral_coeff command
</a></li>
<li
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>
dihedral_style command
</a></li>
<li
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>
dimension command
</a></li>
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displace_atoms command
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dump command
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dump
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h5md
</span></code>
command
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image
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molfile
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dump custom/vtk command
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dump h5md command
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dump image command
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dump movie command
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dump_modify command
</a></li>
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>
dump molfile command
</a></li>
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echo command
</a></li>
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fix command
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fix_modify command
</a></li>
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>
group command
</a></li>
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>
group2ndx command
</a></li>
<li
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ndx2group command
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>
if command
</a></li>
<li
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"improper_coeff.html"
>
improper_coeff command
</a></li>
<li
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"toctree-l2"
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href=
"improper_style.html"
>
improper_style command
</a></li>
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>
include command
</a></li>
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>
info command
</a></li>
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>
jump command
</a></li>
<li
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"kspace_modify.html"
>
kspace_modify command
</a></li>
<li
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"toctree-l2"
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class=
"reference internal"
href=
"kspace_style.html"
>
kspace_style command
</a></li>
<li
class=
"toctree-l2"
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href=
"label.html"
>
label command
</a></li>
<li
class=
"toctree-l2"
><a
class=
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href=
"lattice.html"
>
lattice command
</a></li>
<li
class=
"toctree-l2"
><a
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href=
"log.html"
>
log command
</a></li>
<li
class=
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href=
"mass.html"
>
mass command
</a></li>
<li
class=
"toctree-l2"
><a
class=
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href=
"min_modify.html"
>
min_modify command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"min_style.html"
>
min_style command
</a></li>
<li
class=
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class=
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href=
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>
minimize command
</a></li>
<li
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"molecule.html"
>
molecule command
</a></li>
<li
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><a
class=
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href=
"neb.html"
>
neb command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"neigh_modify.html"
>
neigh_modify command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"neighbor.html"
>
neighbor command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"newton.html"
>
newton command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"next.html"
>
next command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"package.html"
>
package command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"pair_coeff.html"
>
pair_coeff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"pair_modify.html"
>
pair_modify command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"pair_style.html"
>
pair_style command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"pair_write.html"
>
pair_write command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"partition.html"
>
partition command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"prd.html"
>
prd command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"print.html"
>
print command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"processors.html"
>
processors command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"python.html"
>
python command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"quit.html"
>
quit command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"read_data.html"
>
read_data command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"read_dump.html"
>
read_dump command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"read_restart.html"
>
read_restart command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"region.html"
>
region command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"replicate.html"
>
replicate command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"rerun.html"
>
rerun command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"reset_timestep.html"
>
reset_timestep command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"restart.html"
>
restart command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"run.html"
>
run command
</a></li>
<li
class=
"toctree-l2"
><a
class=
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href=
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>
run_style command
</a></li>
<li
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><a
class=
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href=
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>
set command
</a></li>
<li
class=
"toctree-l2"
><a
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>
shell command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"special_bonds.html"
>
special_bonds command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"suffix.html"
>
suffix command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"tad.html"
>
tad command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"temper.html"
>
temper command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"thermo.html"
>
thermo command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"thermo_modify.html"
>
thermo_modify command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
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write_coeff command
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Syntax
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<span
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write_coeff command
</h1>
<div
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id=
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<h2>
Syntax
</h2>
<pre
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"literal-block"
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write_coeff file
</pre>
<div
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file
</span>
<span
class=
"o"
>
=
</span>
<span
class=
"n"
>
name
</span>
<span
class=
"n"
>
of
</span>
<span
class=
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data
</span>
<span
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file
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<span
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to
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<span
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write
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<span
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out
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<h2>
Examples
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<pre
class=
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>
write_coeff polymer.coeff
</pre>
</div>
<div
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id=
"description"
>
<h2>
Description
</h2>
<p>
Write a text format file with the currently defined force field
coefficients in a way, that it can be read by LAMMPS with the
<a
class=
"reference internal"
href=
"include.html"
><span
class=
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>
include
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command. In combination with the nocoeff
option of
<a
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"reference internal"
href=
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><span
class=
"doc"
>
write_data
</span></a>
this can be used to move
the Coeffs sections from a data file into a separate file.
</p>
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>
<p
class=
"first admonition-title"
>
Note
</p>
<p
class=
"last"
>
The write_coeff command is not yet fully implemented in two
respects. First, some pair styles do not yet write their coefficient
information into the coeff file. This means you will need to specify
that information in your input script that reads the data file, via
the
<a
class=
"reference internal"
href=
"pair_coeff.html"
><span
class=
"doc"
>
pair_coeff
</span></a>
command.
</p>
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<h2>
Restrictions
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<p>
none
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>
<h2>
Related commands
</h2>
<p><a
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>
read_data
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