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janash committed May 14, 2024
1 parent 9fcbddf commit b72e9b7
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2 changes: 1 addition & 1 deletion _sources/driver_tutorial.md.txt
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Expand Up @@ -623,7 +623,7 @@ for i in range(nsteps):

# Send the forces to LAMMPS
mdi.MDI_Send_Command(">FORCES", lammps)
mdi.MDI_Send(ani_forces, lammps)
mdi.MDI_Send(ani_forces, 3 * natoms, mdi.MDI_DOUBLE, lammps)
:::

```
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2 changes: 1 addition & 1 deletion driver_tutorial.html
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Expand Up @@ -977,7 +977,7 @@ <h2>Calculating Forces using TorchANI<a class="headerlink" href="#calculating-fo

<span class="c1"># Send the forces to LAMMPS</span>
<span class="n">mdi</span><span class="o">.</span><span class="n">MDI_Send_Command</span><span class="p">(</span><span class="s2">&quot;&gt;FORCES&quot;</span><span class="p">,</span> <span class="n">lammps</span><span class="p">)</span>
<span class="n">mdi</span><span class="o">.</span><span class="n">MDI_Send</span><span class="p">(</span><span class="n">ani_forces</span><span class="p">,</span> <span class="n">lammps</span><span class="p">)</span>
<span class="n">mdi</span><span class="o">.</span><span class="n">MDI_Send</span><span class="p">(</span><span class="n">ani_forces</span><span class="p">,</span> <span class="mi">3</span> <span class="o">*</span> <span class="n">natoms</span><span class="p">,</span> <span class="n">mdi</span><span class="o">.</span><span class="n">MDI_DOUBLE</span><span class="p">,</span> <span class="n">lammps</span><span class="p">)</span>
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