Skip to content

Commit

Permalink
doc update
Browse files Browse the repository at this point in the history
  • Loading branch information
@CyberCatQ
CyberCatQ committed Mar 4, 2024
1 parent 21931eb commit 56cf35e
Show file tree
Hide file tree
Showing 24 changed files with 27 additions and 23 deletions.
2 changes: 1 addition & 1 deletion .buildinfo
View file
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: b7be94ff9a7cd59a7eb0e8897f0ad85f
config: 691426e65b111dd3fdee72aca3bc5871
tags: 645f666f9bcd5a90fca523b33c5a78b7
2 changes: 1 addition & 1 deletion README.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -435,7 +435,7 @@ <h2>更新日志<a class="headerlink" href="#id1" title="Permalink to this headi
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion _modules/index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -120,7 +120,7 @@ <h1>All modules for which code is available</h1>
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 2 additions & 0 deletions _sources/dynamic.md.txt
View file
Original file line number Diff line number Diff line change
Expand Up @@ -210,7 +210,9 @@ processor.add_process('input_file/heat.in', 'heat', 'heat')
processor.add_process('input_file/eq_npt.in', 'eq_npt', 'npt')
processor.add_process('input_file/eq_nvt.in', 'eq_nvt', 'nvt')
processor.add_process('input_file/production.in', 'production', 'npt')

simulator = Simulator(processor)
simulator.run_simulation(with_gpu=0)
```

## 模拟结果分析
Expand Down
2 changes: 1 addition & 1 deletion dance.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -236,7 +236,7 @@ <h2>建模与评估 Modeling and Evaluation<a class="headerlink" href="#modeling
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion demand.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -168,7 +168,7 @@ <h3>通过 python 包检索 PDB 数据<a class="headerlink" href="#python-pdb" t
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion density.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -121,7 +121,7 @@ <h2>Function<a class="headerlink" href="#function" title="Permalink to this head
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion dock.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -237,7 +237,7 @@ <h2>为系综对接构建Dock输入文件的示例<a class="headerlink" href="#d
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
4 changes: 3 additions & 1 deletion dynamic.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -318,7 +318,9 @@ <h3>构建MD工作流并执行模拟<a class="headerlink" href="#md" title="Perm
<span class="n">processor</span><span class="o">.</span><span class="n">add_process</span><span class="p">(</span><span class="s1">&#39;input_file/eq_npt.in&#39;</span><span class="p">,</span> <span class="s1">&#39;eq_npt&#39;</span><span class="p">,</span> <span class="s1">&#39;npt&#39;</span><span class="p">)</span>
<span class="n">processor</span><span class="o">.</span><span class="n">add_process</span><span class="p">(</span><span class="s1">&#39;input_file/eq_nvt.in&#39;</span><span class="p">,</span> <span class="s1">&#39;eq_nvt&#39;</span><span class="p">,</span> <span class="s1">&#39;nvt&#39;</span><span class="p">)</span>
<span class="n">processor</span><span class="o">.</span><span class="n">add_process</span><span class="p">(</span><span class="s1">&#39;input_file/production.in&#39;</span><span class="p">,</span> <span class="s1">&#39;production&#39;</span><span class="p">,</span> <span class="s1">&#39;npt&#39;</span><span class="p">)</span>

<span class="n">simulator</span> <span class="o">=</span> <span class="n">Simulator</span><span class="p">(</span><span class="n">processor</span><span class="p">)</span>
<span class="n">simulator</span><span class="o">.</span><span class="n">run_simulation</span><span class="p">(</span><span class="n">with_gpu</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
</pre></div>
</div>
</section>
Expand Down Expand Up @@ -471,7 +473,7 @@ <h4>MM-GBSA 结合自由能计算与能量分解<a class="headerlink" href="#mm-
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion genindex.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1380,7 +1380,7 @@ <h2 id="V">V</h2>
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -163,7 +163,7 @@ <h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Pe
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion modules.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -181,7 +181,7 @@ <h1>pyCADD<a class="headerlink" href="#pycadd" title="Permalink to this heading"
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion py-modindex.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -316,7 +316,7 @@ <h1>Python Module Index</h1>
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Dance.algorithm.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -410,7 +410,7 @@ <h3>Return<a class="headerlink" href="#id10" title="Permalink to this heading">
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Dance.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -625,7 +625,7 @@ <h3>Parameters<a class="headerlink" href="#id21" title="Permalink to this headin
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Demand.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -248,7 +248,7 @@ <h3>Parameters<a class="headerlink" href="#parameters" title="Permalink to this
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Density.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -494,7 +494,7 @@ <h3>Return<a class="headerlink" href="#id13" title="Permalink to this heading">
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Dock.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1156,7 +1156,7 @@ <h3>Returns<a class="headerlink" href="#returns" title="Permalink to this headin
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.Dynamic.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1202,7 +1202,7 @@ <h3>Returns<a class="headerlink" href="#id56" title="Permalink to this heading">
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.VSW.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -357,7 +357,7 @@ <h3>Parameters<a class="headerlink" href="#id8" title="Permalink to this heading
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -642,7 +642,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to thi
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion pyCADD.utils.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -414,7 +414,7 @@ <h3>Parameters<a class="headerlink" href="#id3" title="Permalink to this heading
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion search.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -104,7 +104,7 @@
<hr/>

<div role="contentinfo">
<p>&#169; Copyright 2024, Yuhang Wu.</p>
<p>&#169; Copyright 2023, Yuhang Wu.</p>
</div>

Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
Expand Down
2 changes: 1 addition & 1 deletion searchindex.js
View file

Large diffs are not rendered by default.

0 comments on commit 56cf35e

Please sign in to comment.