Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

doc updated #94

Merged
merged 1 commit into from May 14, 2020
Merged

doc updated #94

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Jump to
Jump to file
Failed to load files.
Diff view
Diff view
1 change: 0 additions & 1 deletion README.md
View file
Open in desktop
Expand Up @@ -41,7 +41,6 @@ git clone git@github.com:OMalenfantThuot/ML_Calc_Driver.git
cd ML_Calc_Driver
pip install .
```

To modify the sources, instead of `pip install .`, use

```
Expand Down
2 changes: 1 addition & 1 deletion docs/.buildinfo
View file
Open in desktop
@@ -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: b2854b42d84965a2e3ec8eeeaf37d586
config: 69a96a50c6ea83abf4c7ce2fa6daa413
tags: 645f666f9bcd5a90fca523b33c5a78b7
14 changes: 7 additions & 7 deletions docs/_modules/index.html
View file
Open in desktop
Expand Up @@ -8,7 +8,7 @@

<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Overview: module code &mdash; ML_Calc_Driver 0.2.0 documentation</title>
<title>Overview: module code &mdash; ML_Calc_Driver 1.1.0 documentation</title>



Expand All @@ -21,11 +21,11 @@


<script type="text/javascript" id="documentation_options" data-url_root="../" src="../_static/documentation_options.js"></script>
<script type="text/javascript" src="../_static/jquery.js"></script>
<script type="text/javascript" src="../_static/underscore.js"></script>
<script type="text/javascript" src="../_static/doctools.js"></script>
<script type="text/javascript" src="../_static/language_data.js"></script>
<script async="async" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>
<script src="../_static/jquery.js"></script>
<script src="../_static/underscore.js"></script>
<script src="../_static/doctools.js"></script>
<script src="../_static/language_data.js"></script>
<script async="async" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>

<script type="text/javascript" src="../_static/js/theme.js"></script>

Expand Down Expand Up @@ -167,7 +167,7 @@ <h1>All modules for which code is available</h1>

<div role="contentinfo">
<p>
&copy; Copyright 2019, Olivier Malenfant-Thuot
&copy; Copyright 2020, Olivier Malenfant-Thuot

</p>
</div>
Expand Down
97 changes: 54 additions & 43 deletions docs/_modules/mlcalcdriver/base/job.html
View file
Open in desktop

Large diffs are not rendered by default.

241 changes: 150 additions & 91 deletions docs/_modules/mlcalcdriver/base/posinp.html
View file
Open in desktop

Large diffs are not rendered by default.

20 changes: 11 additions & 9 deletions docs/_modules/mlcalcdriver/calculators/calculator.html
View file
Open in desktop
Expand Up @@ -8,7 +8,7 @@

<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>mlcalcdriver.calculators.calculator &mdash; ML_Calc_Driver 0.2.0 documentation</title>
<title>mlcalcdriver.calculators.calculator &mdash; ML_Calc_Driver 1.1.0 documentation</title>



Expand All @@ -21,11 +21,11 @@


<script type="text/javascript" id="documentation_options" data-url_root="../../../" src="../../../_static/documentation_options.js"></script>
<script type="text/javascript" src="../../../_static/jquery.js"></script>
<script type="text/javascript" src="../../../_static/underscore.js"></script>
<script type="text/javascript" src="../../../_static/doctools.js"></script>
<script type="text/javascript" src="../../../_static/language_data.js"></script>
<script async="async" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/language_data.js"></script>
<script async="async" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>

<script type="text/javascript" src="../../../_static/js/theme.js"></script>

Expand Down Expand Up @@ -162,7 +162,7 @@ <h1>Source code for mlcalcdriver.calculators.calculator</h1><div class="highligh
<span class="sd"> of models.</span>
<span class="sd"> &quot;&quot;&quot;</span>

<span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">available_properties</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">units</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
<span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">available_properties</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">units</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
<span class="sa">r</span><span class="sd">&quot;&quot;&quot;</span>
<span class="sd"> Parameters</span>
<span class="sd"> ----------</span>
Expand Down Expand Up @@ -227,7 +227,9 @@ <h1>Source code for mlcalcdriver.calculators.calculator</h1><div class="highligh
<span class="nd">@units</span><span class="o">.</span><span class="n">setter</span>
<span class="k">def</span> <span class="nf">units</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">units</span><span class="p">):</span>
<span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">units</span><span class="p">,</span> <span class="nb">dict</span><span class="p">):</span>
<span class="k">if</span> <span class="nb">all</span><span class="p">([</span><span class="n">k</span> <span class="ow">in</span> <span class="p">[</span><span class="s2">&quot;positions&quot;</span><span class="p">,</span> <span class="s2">&quot;energy&quot;</span><span class="p">]</span> <span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="n">units</span><span class="o">.</span><span class="n">keys</span><span class="p">()]):</span>
<span class="k">if</span> <span class="nb">all</span><span class="p">(</span>
<span class="p">[</span><span class="n">k</span> <span class="ow">in</span> <span class="p">[</span><span class="s2">&quot;positions&quot;</span><span class="p">,</span> <span class="s2">&quot;energy&quot;</span><span class="p">,</span> <span class="s2">&quot;dipole_moment&quot;</span><span class="p">]</span> <span class="k">for</span> <span class="n">k</span> <span class="ow">in</span> <span class="n">units</span><span class="o">.</span><span class="n">keys</span><span class="p">()]</span>
<span class="p">):</span>
<span class="bp">self</span><span class="o">.</span><span class="n">_units</span> <span class="o">=</span> <span class="n">units</span>
<span class="k">else</span><span class="p">:</span>
<span class="k">raise</span> <span class="ne">KeyError</span><span class="p">(</span><span class="s2">&quot;Units key not recognized.&quot;</span><span class="p">)</span>
Expand All @@ -245,7 +247,7 @@ <h1>Source code for mlcalcdriver.calculators.calculator</h1><div class="highligh

<div role="contentinfo">
<p>
&copy; Copyright 2019, Olivier Malenfant-Thuot
&copy; Copyright 2020, Olivier Malenfant-Thuot

</p>
</div>
Expand Down