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tberkel committed Jun 19, 2024
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2 changes: 1 addition & 1 deletion docs/_sources/user/install.md.txt
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Expand Up @@ -141,7 +141,7 @@ Extension modules are not available in the Fedora package.
## Docker image

The following command starts a container with a jupyter notebook
server that listens for HTTP connections on port 8888::
server that listens for HTTP connections on port 8888,
```
docker run -it -p 8888:8888 pyscf/pyscf:latest
```
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2 changes: 1 addition & 1 deletion docs/pyscf_api_docs/pyscf.md.html
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Expand Up @@ -398,7 +398,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
<span id="pyscf-md-distributions-module"></span><h2>pyscf.md.distributions module<a class="headerlink" href="#module-pyscf.md.distributions" title="Link to this heading">#</a></h2>
<dl class="py function">
<dt class="sig sig-object py" id="pyscf.md.distributions.MaxwellBoltzmannVelocity">
<span class="sig-prename descclassname"><span class="pre">pyscf.md.distributions.</span></span><span class="sig-name descname"><span class="pre">MaxwellBoltzmannVelocity</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">T=298.15</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rng=Generator(PCG64)</span> <span class="pre">at</span> <span class="pre">0x7F67F881F680</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/pyscf/md/distributions.html#MaxwellBoltzmannVelocity"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pyscf.md.distributions.MaxwellBoltzmannVelocity" title="Link to this definition">#</a></dt>
<span class="sig-prename descclassname"><span class="pre">pyscf.md.distributions.</span></span><span class="sig-name descname"><span class="pre">MaxwellBoltzmannVelocity</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mol</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">T=298.15</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rng=Generator(PCG64)</span> <span class="pre">at</span> <span class="pre">0x7FFAB6D3B680</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/pyscf/md/distributions.html#MaxwellBoltzmannVelocity"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pyscf.md.distributions.MaxwellBoltzmannVelocity" title="Link to this definition">#</a></dt>
<dd><p>Computes velocities for a molecular structure using
a Maxwell-Boltzmann distribution.
Args:</p>
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2 changes: 1 addition & 1 deletion docs/searchindex.js

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2 changes: 1 addition & 1 deletion docs/user/install.html
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Expand Up @@ -578,7 +578,7 @@ <h2>Install on Fedora<a class="headerlink" href="#install-on-fedora" title="Link
<section id="docker-image">
<h2>Docker image<a class="headerlink" href="#docker-image" title="Link to this heading">#</a></h2>
<p>The following command starts a container with a jupyter notebook
server that listens for HTTP connections on port 8888::</p>
server that listens for HTTP connections on port 8888,</p>
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">docker</span> <span class="n">run</span> <span class="o">-</span><span class="n">it</span> <span class="o">-</span><span class="n">p</span> <span class="mi">8888</span><span class="p">:</span><span class="mi">8888</span> <span class="n">pyscf</span><span class="o">/</span><span class="n">pyscf</span><span class="p">:</span><span class="n">latest</span>
</pre></div>
</div>
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2 changes: 1 addition & 1 deletion source/user/install.md
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Expand Up @@ -141,7 +141,7 @@ Extension modules are not available in the Fedora package.
## Docker image

The following command starts a container with a jupyter notebook
server that listens for HTTP connections on port 8888::
server that listens for HTTP connections on port 8888,
```
docker run -it -p 8888:8888 pyscf/pyscf:latest
```
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