deploy: 6e1e20f

_modules/pwtools/batch.html

@@ -86,7 +86,9 @@ <h3 id="searchlabel">Quick search</h3>
           <div class="body" role="main">
 
   <h1>Source code for pwtools.batch</h1><div class="highlight"><pre>
-<span></span><span class="kn">import</span> <span class="nn">os</span>
+<span></span><span class="sd">&quot;&quot;&quot;Tools for parameter studies. See :ref:`param_study`.&quot;&quot;&quot;</span>
+
+<span class="kn">import</span> <span class="nn">os</span>
 <span class="kn">import</span> <span class="nn">copy</span>
 <span class="kn">import</span> <span class="nn">shutil</span>
 <span class="kn">from</span> <span class="nn">collections.abc</span> <span class="kn">import</span> <span class="n">Callable</span>

_sources/written/background/param_study.rst.txt

@@ -3,6 +3,10 @@
 Parameter studies
 =================
 
+.. note::
+   For a modern version of the tools in :mod:`~pwtools.batch` with more
+   features, see https://github.com/elcorto/psweep.
+
 :mod:`~pwtools.batch` has tools for setting up parameter studies: automatic
 input generation, database tools (see also :mod:`~pwtools.sql`), ...
 

_sources/written/features.rst.txt

@@ -45,7 +45,8 @@ Features
   and a number of convenient 1D classes (polynomial, spline) with a common
   API (:mod:`~pwtools.num`).
 
-* N-dim radial basis function interpolation and fitting (:mod:`~pwtools.rbf`)
+* N-dim radial basis function interpolation and fitting
+  (:mod:`~pwtools.rbf.core`, :mod:`~pwtools.rbf.hyperopt`). See :ref:`rbf`.
 
 * Basic signal processing / fft related tools (:mod:`~pwtools.signal`)
 

generated/api/__sphinx_autodoc_module__pwtools.batch.html

@@ -92,7 +92,8 @@ <h3 id="searchlabel">Quick search</h3>
 
   <section id="batch">
 <h1>batch<a class="headerlink" href="#batch" title="Link to this heading">¶</a></h1>
-<span class="target" id="module-pwtools.batch"></span><table class="autosummary longtable docutils align-default">
+<p id="module-pwtools.batch">Tools for parameter studies. See <a class="reference internal" href="../../written/background/param_study.html#param-study"><span class="std std-ref">Parameter studies</span></a>.</p>
+<table class="autosummary longtable docutils align-default">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="pwtools.batch.Calculation.html#pwtools.batch.Calculation" title="pwtools.batch.Calculation"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Calculation</span></code></a>([machine, templates, params, ...])</p></td>
 <td><p>Represent a single calculation.</p></td>

written/background/param_study.html

@@ -104,6 +104,11 @@ <h3 id="searchlabel">Quick search</h3>
 
   <section id="parameter-studies">
 <span id="param-study"></span><h1>Parameter studies<a class="headerlink" href="#parameter-studies" title="Link to this heading">¶</a></h1>
+<div class="admonition note">
+<p class="admonition-title">Note</p>
+<p>For a modern version of the tools in <a class="reference internal" href="../../generated/api/__sphinx_autodoc_module__pwtools.batch.html#module-pwtools.batch" title="pwtools.batch"><code class="xref py py-mod docutils literal notranslate"><span class="pre">batch</span></code></a> with more
+features, see <a class="reference external" href="https://github.com/elcorto/psweep">https://github.com/elcorto/psweep</a>.</p>
+</div>
 <p><a class="reference internal" href="../../generated/api/__sphinx_autodoc_module__pwtools.batch.html#module-pwtools.batch" title="pwtools.batch"><code class="xref py py-mod docutils literal notranslate"><span class="pre">batch</span></code></a> has tools for setting up parameter studies: automatic
 input generation, database tools (see also <a class="reference internal" href="../../generated/api/__sphinx_autodoc_module__pwtools.sql.html#module-pwtools.sql" title="pwtools.sql"><code class="xref py py-mod docutils literal notranslate"><span class="pre">sql</span></code></a>), …</p>
 <p>See <code class="docutils literal notranslate"><span class="pre">examples/parameter_study</span></code> for examples which you can copy and run.

written/features.html

@@ -122,7 +122,8 @@ <h3 id="searchlabel">Quick search</h3>
 <li><p>Functions and classes to extend numpy/scipy, e.g. N-dim polynomial fitting
 and a number of convenient 1D classes (polynomial, spline) with a common
 API (<a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.num.html#module-pwtools.num" title="pwtools.num"><code class="xref py py-mod docutils literal notranslate"><span class="pre">num</span></code></a>).</p></li>
-<li><p>N-dim radial basis function interpolation and fitting (<code class="xref py py-mod docutils literal notranslate"><span class="pre">rbf</span></code>)</p></li>
+<li><p>N-dim radial basis function interpolation and fitting
+(<a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.rbf.core.html#module-pwtools.rbf.core" title="pwtools.rbf.core"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a>, <a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.rbf.hyperopt.html#module-pwtools.rbf.hyperopt" title="pwtools.rbf.hyperopt"><code class="xref py py-mod docutils literal notranslate"><span class="pre">hyperopt</span></code></a>). See <a class="reference internal" href="background/rbf.html#rbf"><span class="std std-ref">Radial Basis Function interpolation an regression</span></a>.</p></li>
 <li><p>Basic signal processing / fft related tools (<a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.signal.html#module-pwtools.signal" title="pwtools.signal"><code class="xref py py-mod docutils literal notranslate"><span class="pre">signal</span></code></a>)</p></li>
 <li><p>Tools to handle matplotlib plots in scripts (<a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.mpl.html#module-pwtools.mpl" title="pwtools.mpl"><code class="xref py py-mod docutils literal notranslate"><span class="pre">mpl</span></code></a>)</p></li>
 <li><p>QE and LAMMPS calculators for ASE (<a class="reference internal" href="../generated/api/__sphinx_autodoc_module__pwtools.calculators.html#module-pwtools.calculators" title="pwtools.calculators"><code class="xref py py-mod docutils literal notranslate"><span class="pre">calculators</span></code></a>)</p></li>