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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13812 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
2015-07-31 23:59:29 +00:00
parent 992d9ff3ea
commit 80a58bfc47
17 changed files with 158 additions and 113 deletions
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doc/python.html
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@ -184,7 +184,7 @@ def loop(lmpptr,N,cut0):
<div class="highlight-python"><div class="highlight"><pre> for i in range(N):
cut = cut0 + i*0.1
lmp.set_variable(&quot;cut&quot;,cut) # set a variable in LAMMPS
lmp.command(&quot;pair_style lj/cut $*cut*&quot;) # LAMMPS commands
lmp.command(&quot;pair_style lj/cut ${cut}&quot;) # LAMMPS commands
lmp.command(&quot;pair_coeff * * 1.0 1.0&quot;)
lmp.command(&quot;run 100&quot;)
&quot;&quot;&quot;
@ -429,7 +429,7 @@ which loads and runs the following function from examples/python/funcs.py:</p>
</pre></div>
</div>
<div class="highlight-python"><div class="highlight"><pre><span class="n">lmp</span><span class="o">.</span><span class="n">set_variable</span><span class="p">(</span><span class="s">&quot;cut&quot;</span><span class="p">,</span><span class="n">cut</span><span class="p">)</span> <span class="c"># set a variable in LAMMPS</span>
<span class="n">lmp</span><span class="o">.</span><span class="n">command</span><span class="p">(</span><span class="s">&quot;pair_style lj/cut $*cut*&quot;</span><span class="p">)</span> <span class="c"># LAMMPS command</span>
<span class="n">lmp</span><span class="o">.</span><span class="n">command</span><span class="p">(</span><span class="s">&quot;pair_style lj/cut ${cut}&quot;</span><span class="p">)</span> <span class="c"># LAMMPS command</span>
<span class="c">#lmp.command(&quot;pair_style lj/cut %d&quot; % cut) # LAMMPS command option</span>
</pre></div>
</div>