git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14213 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
2015-10-23 19:59:37 +00:00
parent a1a97efc3e
commit 98a6849292
3 changed files with 61 additions and 21 deletions

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@ -145,8 +145,9 @@ timestep 0.003
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Set the timestep size for subsequent molecular dynamics simulations.
See the <a class="reference internal" href="units.html"><em>units</em></a> command for a discussion of time units.
The default value for the timestep size also depends on the choice of
See the <a class="reference internal" href="units.html"><em>units</em></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 class="reference internal" href="run_style.html"><em>run style</em></a> is <em>respa</em>, dt is the timestep for
the outer loop (largest) timestep.</p>
@ -163,16 +164,51 @@ the outer loop (largest) timestep.</p>
</div>
<div class="section" id="default">
<h2>Default<a class="headerlink" href="#default" title="Permalink to this headline"></a></h2>
<div class="line-block">
<div class="line">timestep = 0.005 tau for units = lj</div>
<div class="line">timestep = 1.0 fmsec for units = real</div>
<div class="line">timestep = 0.001 psec for units = metal</div>
<div class="line">timestep = 1.0e-8 sec (10 nsec) for units = si or cgs</div>
<div class="line">timestep = 0.001 fmsec for units = electron</div>
<div class="line">timestep = 2.0 usec for units = micro</div>
<div class="line">timestep = 0.00045 nsec for units = nano</div>
<div class="line"><br /></div>
</div>
<table border="1" class="docutils">
<colgroup>
<col width="48%" />
<col width="18%" />
<col width="34%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td>choice of <a class="reference internal" href="units.html"><em>units</em></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>
</div>
</div>

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@ -22,7 +22,9 @@ timestep 0.003 :pre
[Description:]
Set the timestep size for subsequent molecular dynamics simulations.
See the "units"_units.html command for a discussion of time units.
See the "units"_units.html command for the time units associated with
each choice of units that LAMMPS supports.
The default value for the timestep size also depends on the choice of
units for the simulation; see the default values below.
@ -38,10 +40,12 @@ the outer loop (largest) timestep.
[Default:]
timestep = 0.005 tau for units = lj
timestep = 1.0 fmsec for units = real
timestep = 0.001 psec for units = metal
timestep = 1.0e-8 sec (10 nsec) for units = si or cgs
timestep = 0.001 fmsec for units = electron
timestep = 2.0 usec for units = micro
timestep = 0.00045 nsec for units = nano :all(b)
choice of "units"_units.html : time units : default timestep size
lj : tau : 0.005 tau
real : fmsec : 1.0 fmsec
metal : psec : 0.001 psec
si : sec : 1.0e-8 sec (10 nsec)
cgs : sec : 1.0e-8 sec (10 nsec)
electron : fmsec : 0.001 fmsec
micro : usec : 2.0 usec
nano : nsec : 0.00045 nsec :tb(s=:,a=l,ea=c)