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write_coeff command
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write_coeff command
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<div
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id=
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>
<span
id=
"index-0"
></span><h1>
write_coeff command
</h1>
<div
class=
"section"
id=
"syntax"
>
<h2>
Syntax
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
write_coeff
</span>
<span
class=
"n"
>
file
</span>
</pre></div>
</div>
<div
class=
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><div
class=
"highlight"
><pre><span></span><span
class=
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>
file
</span>
<span
class=
"o"
>
=
</span>
<span
class=
"n"
>
name
</span>
<span
class=
"n"
>
of
</span>
<span
class=
"n"
>
data
</span>
<span
class=
"n"
>
file
</span>
<span
class=
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>
to
</span>
<span
class=
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>
write
</span>
<span
class=
"n"
>
out
</span>
</pre></div>
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class=
"section"
id=
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>
<h2>
Examples
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
write_coeff
</span>
<span
class=
"n"
>
polymer
</span><span
class=
"o"
>
.
</span><span
class=
"n"
>
coeff
</span>
</pre></div>
</div>
</div>
<div
class=
"section"
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=
"doc"
>
include
</span></a>
command. In combination with the nocoeff
option of
<a
class=
"reference internal"
href=
"write_data.html"
><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>
<div
class=
"admonition note"
>
<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>
</div>
</div>
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>
<h2>
Restrictions
</h2>
<p>
none
</p>
</div>
<div
class=
"section"
id=
"related-commands"
>
<h2>
Related commands
</h2>
<p><a
class=
"reference internal"
href=
"read_data.html"
><span
class=
"doc"
>
read_data
</span></a>
,
<a
class=
"reference internal"
href=
"write_restart.html"
><span
class=
"doc"
>
write_restart
</span></a>
,
<a
class=
"reference internal"
href=
"write_data.html"
><span
class=
"doc"
>
write_data
</span></a></p>
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