''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14213 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
File diff suppressed because one or more lines are too long
@ -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>
|
||||
|
||||
|
||||
@ -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)
|
||||
|
||||
Reference in New Issue
Block a user