deploy: dddccd4

_sources/install/installing_mala.rst.txt

@@ -4,8 +4,8 @@ Installing MALA
 Prerequisites
 **************
 
-MALA does not depend on a specific Python version. The most recent Python
-version it has been tested with successfully is Python ``3.10.4``.
+MALA supports any Python version starting from ``3.10.4``. No upper limit on
+Python versions are enforced. The most recent *tested* version is ``3.10.12``.
 
 MALA requires ``torch`` in order to function. As the installation of torch
 depends highly on the architecture you are using, ``torch`` will not

api/mala.descriptors.atomic_density.html

@@ -111,7 +111,7 @@
 <p>Gaussian descriptor class.</p>
 <dl class="py class">
 <dt class="sig sig-object py" id="mala.descriptors.atomic_density.AtomicDensity">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AtomicDensity</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/atomic_density.html#AtomicDensity"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.atomic_density.AtomicDensity" title="Link to this definition"></a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AtomicDensity</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/atomic_density.html#AtomicDensity"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.atomic_density.AtomicDensity" title="Link to this definition"></a></dt>
 <dd><p>Bases: <a class="reference internal" href="mala.descriptors.descriptor.html#mala.descriptors.descriptor.Descriptor" title="mala.descriptors.descriptor.Descriptor"><code class="xref py py-class docutils literal notranslate"><span class="pre">Descriptor</span></code></a></p>
 <p>Class for calculation and parsing of Gaussian descriptors.</p>
 <dl class="field-list simple">

api/mala.descriptors.bispectrum.html

@@ -111,7 +111,7 @@
 <p>Bispectrum descriptor class.</p>
 <dl class="py class">
 <dt class="sig sig-object py" id="mala.descriptors.bispectrum.Bispectrum">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">Bispectrum</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/bispectrum.html#Bispectrum"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.bispectrum.Bispectrum" title="Link to this definition"></a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">Bispectrum</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/bispectrum.html#Bispectrum"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.bispectrum.Bispectrum" title="Link to this definition"></a></dt>
 <dd><p>Bases: <a class="reference internal" href="mala.descriptors.descriptor.html#mala.descriptors.descriptor.Descriptor" title="mala.descriptors.descriptor.Descriptor"><code class="xref py py-class docutils literal notranslate"><span class="pre">Descriptor</span></code></a></p>
 <p>Class for calculation and parsing of bispectrum descriptors.</p>
 <dl class="field-list simple">

api/mala.descriptors.descriptor.html

@@ -111,7 +111,7 @@
 <p>Base class for all descriptor calculators.</p>
 <dl class="py class">
 <dt class="sig sig-object py" id="mala.descriptors.descriptor.Descriptor">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">Descriptor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/descriptor.html#Descriptor"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.descriptor.Descriptor" title="Link to this definition"></a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">Descriptor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/descriptor.html#Descriptor"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.descriptor.Descriptor" title="Link to this definition"></a></dt>
 <dd><p>Bases: <a class="reference internal" href="mala.common.physical_data.html#mala.common.physical_data.PhysicalData" title="mala.common.physical_data.PhysicalData"><code class="xref py py-class docutils literal notranslate"><span class="pre">PhysicalData</span></code></a></p>
 <p>Base class for all descriptors available in MALA.</p>
 <p>Descriptors encode the atomic fingerprint of a DFT calculation.</p>

api/mala.descriptors.minterpy_descriptors.html

@@ -111,7 +111,7 @@
 <p>Minterpy descriptor class.</p>
 <dl class="py class">
 <dt class="sig sig-object py" id="mala.descriptors.minterpy_descriptors.MinterpyDescriptors">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">MinterpyDescriptors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/minterpy_descriptors.html#MinterpyDescriptors"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.minterpy_descriptors.MinterpyDescriptors" title="Link to this definition"></a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">MinterpyDescriptors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">params</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="mala.common.parameters.html#mala.common.parameters.Parameters" title="mala.common.parameters.Parameters"><span class="pre">Parameters</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/mala/descriptors/minterpy_descriptors.html#MinterpyDescriptors"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#mala.descriptors.minterpy_descriptors.MinterpyDescriptors" title="Link to this definition"></a></dt>
 <dd><p>Bases: <a class="reference internal" href="mala.descriptors.descriptor.html#mala.descriptors.descriptor.Descriptor" title="mala.descriptors.descriptor.Descriptor"><code class="xref py py-class docutils literal notranslate"><span class="pre">Descriptor</span></code></a></p>
 <p>Class for calculation and parsing of Minterpy descriptors.</p>
 <p>Marked for deprecation.</p>

install/installing_mala.html

@@ -99,8 +99,8 @@
 <h1>Installing MALA<a class="headerlink" href="#installing-mala" title="Link to this heading"></a></h1>
 <section id="prerequisites">
 <h2>Prerequisites<a class="headerlink" href="#prerequisites" title="Link to this heading"></a></h2>
-<p>MALA does not depend on a specific Python version. The most recent Python
-version it has been tested with successfully is Python <code class="docutils literal notranslate"><span class="pre">3.10.4</span></code>.</p>
+<p>MALA supports any Python version starting from <code class="docutils literal notranslate"><span class="pre">3.10.4</span></code>. No upper limit on
+Python versions are enforced. The most recent <em>tested</em> version is <code class="docutils literal notranslate"><span class="pre">3.10.12</span></code>.</p>
 <p>MALA requires <code class="docutils literal notranslate"><span class="pre">torch</span></code> in order to function. As the installation of torch
 depends highly on the architecture you are using, <code class="docutils literal notranslate"><span class="pre">torch</span></code> will not
 automatically be installed alongside MALA. Please obtain a suitable version