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Updated docs.
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shyuep committed Jun 27, 2024
1 parent ca75866 commit 71991cc
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Showing 4 changed files with 4 additions and 2 deletions.
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Expand Up @@ -94,6 +94,8 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.tests.test_van_hove</h1><di
<span class="bp">self</span><span class="o">.</span><span class="n">assertAlmostEqual</span><span class="p">(</span><span class="n">vh</span><span class="o">.</span><span class="n">gsrt</span><span class="p">[</span><span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">],</span> <span class="mf">3.98942280401</span><span class="p">,</span> <span class="mi">10</span><span class="p">)</span>
<span class="bp">self</span><span class="o">.</span><span class="n">assertAlmostEqual</span><span class="p">(</span><span class="n">vh</span><span class="o">.</span><span class="n">gdrt</span><span class="p">[</span><span class="mi">10</span><span class="p">,</span> <span class="mi">0</span><span class="p">],</span> <span class="mf">9.68574868168</span><span class="p">,</span> <span class="mi">10</span><span class="p">)</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">vh</span><span class="o">.</span><span class="n">get_1d_plot</span><span class="p">()</span>
<span class="k">assert</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">ax</span><span class="p">,</span> <span class="n">mpl</span><span class="o">.</span><span class="n">axes</span><span class="o">.</span><span class="n">Axes</span><span class="p">)</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">vh</span><span class="o">.</span><span class="n">get_3d_plot</span><span class="p">()</span>
<span class="k">assert</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">ax</span><span class="p">,</span> <span class="n">mpl</span><span class="o">.</span><span class="n">axes</span><span class="o">.</span><span class="n">Axes</span><span class="p">)</span></div>
</div>

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Expand Up @@ -289,7 +289,7 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.van_hove</h1><div class="hi

<span class="n">labelsize</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">figsize</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">*</span> <span class="mi">3</span><span class="p">)</span>

<span class="n">ax</span><span class="o">.</span><span class="n">pcolor</span><span class="p">(</span><span class="n">X</span><span class="p">,</span> <span class="n">Y</span><span class="p">,</span> <span class="n">grt</span><span class="p">,</span> <span class="n">cmap</span><span class="o">=</span><span class="s2">&quot;jet&quot;</span><span class="p">,</span> <span class="n">vmin</span><span class="o">=</span><span class="n">grt</span><span class="o">.</span><span class="n">min</span><span class="p">(),</span> <span class="n">vmax</span><span class="o">=</span><span class="n">vmax</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">pcolor</span><span class="p">(</span><span class="n">X</span><span class="p">,</span> <span class="n">Y</span><span class="p">,</span> <span class="n">grt</span><span class="p">,</span> <span class="n">cmap</span><span class="o">=</span><span class="s2">&quot;jet&quot;</span><span class="p">,</span> <span class="n">vmin</span><span class="o">=</span><span class="n">grt</span><span class="o">.</span><span class="n">min</span><span class="p">(),</span> <span class="n">vmax</span><span class="o">=</span><span class="n">vmax</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s2">&quot;Time (ps)&quot;</span><span class="p">,</span> <span class="n">size</span><span class="o">=</span><span class="n">labelsize</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="sa">r</span><span class="s2">&quot;$r$ ($\AA$)&quot;</span><span class="p">,</span> <span class="n">size</span><span class="o">=</span><span class="n">labelsize</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">axis</span><span class="p">([</span><span class="n">x</span><span class="o">.</span><span class="n">min</span><span class="p">(),</span> <span class="n">x</span><span class="o">.</span><span class="n">max</span><span class="p">(),</span> <span class="n">y</span><span class="o">.</span><span class="n">min</span><span class="p">(),</span> <span class="n">y</span><span class="o">.</span><span class="n">max</span><span class="p">()])</span>
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Binary file modified docs/doctrees/environment.pickle
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -56,7 +56,7 @@ dependencies = [
"ase",
"seaborn"
]
version = "2024.6.25.1"
version = "2024.6.27"

[project.urls]
Homepage = "http://materialsvirtuallab.github.io/pymatgen-analysis-diffusion/"
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