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timestep command
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LAMMPS documentation
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timestep command
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<div
class=
"section"
id=
"timestep-command"
>
<span
id=
"index-0"
></span><h1>
timestep command
</h1>
<div
class=
"section"
id=
"syntax"
>
<h2>
Syntax
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
timestep
</span>
<span
class=
"n"
>
dt
</span>
</pre></div>
</div>
<ul
class=
"simple"
>
<li>
dt = timestep size (time units)
</li>
</ul>
</div>
<div
class=
"section"
id=
"examples"
>
<h2>
Examples
</h2>
<div
class=
"highlight-default"
><div
class=
"highlight"
><pre><span></span><span
class=
"n"
>
timestep
</span>
<span
class=
"mf"
>
2.0
</span>
<span
class=
"n"
>
timestep
</span>
<span
class=
"mf"
>
0.003
</span>
</pre></div>
</div>
</div>
<div
class=
"section"
id=
"description"
>
<h2>
Description
</h2>
<p>
Set the timestep size for subsequent molecular dynamics simulations.
See the
<a
class=
"reference internal"
href=
"units.html"
><span
class=
"doc"
>
units
</span></a>
command for the time units associated with
each choice of units that LAMMPS supports.
</p>
<p>
The default value for the timestep size also depends on the choice of
units for the simulation; see the default values below.
</p>
<p>
When the
<a
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"doc"
>
run style
</span></a>
is
<em>
respa
</em>
, dt is the timestep for
the outer loop (largest) timestep.
</p>
</div>
<div
class=
"section"
id=
"restrictions"
>
<h2>
Restrictions
</h2>
<blockquote>
<div>
none
</div></blockquote>
</div>
<div
class=
"section"
id=
"related-commands"
>
<h2>
Related commands
</h2>
<p><a
class=
"reference internal"
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><span
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>
fix dt/reset
</span></a>
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run
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><span
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"doc"
>
run_style
</span></a>
respa,
<a
class=
"reference internal"
href=
"units.html"
><span
class=
"doc"
>
units
</span></a></p>
</div>
<div
class=
"section"
id=
"default"
>
<h2>
Default
</h2>
<table
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width=
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/>
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/>
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valign=
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>
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class=
"row-odd"
><td>
choice of
<a
class=
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href=
"units.html"
><span
class=
"doc"
>
units
</span></a></td>
<td>
time units
</td>
<td>
default timestep size
</td>
</tr>
<tr
class=
"row-even"
><td>
lj
</td>
<td>
tau
</td>
<td>
0.005 tau
</td>
</tr>
<tr
class=
"row-odd"
><td>
real
</td>
<td>
fmsec
</td>
<td>
1.0 fmsec
</td>
</tr>
<tr
class=
"row-even"
><td>
metal
</td>
<td>
psec
</td>
<td>
0.001 psec
</td>
</tr>
<tr
class=
"row-odd"
><td>
si
</td>
<td>
sec
</td>
<td>
1.0e-8 sec (10 nsec)
</td>
</tr>
<tr
class=
"row-even"
><td>
cgs
</td>
<td>
sec
</td>
<td>
1.0e-8 sec (10 nsec)
</td>
</tr>
<tr
class=
"row-odd"
><td>
electron
</td>
<td>
fmsec
</td>
<td>
0.001 fmsec
</td>
</tr>
<tr
class=
"row-even"
><td>
micro
</td>
<td>
usec
</td>
<td>
2.0 usec
</td>
</tr>
<tr
class=
"row-odd"
><td>
nano
</td>
<td>
nsec
</td>
<td>
0.00045 nsec
</td>
</tr>
</tbody>
</table>
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