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openmm · Mar 4, 2024 · fd06725 · fd06725
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diff --git a/dev/.buildinfo b/dev/.buildinfo
@@ -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: 8e6d2975566a474f18332d2d4e2dc774
+config: 357d9b14b45985ea0c943f0164441803
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/dev/_static/documentation_options.js b/dev/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '1.1dev_90984d5',
+    VERSION: '1.1dev_3ca70f0',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',

diff --git a/dev/api.html b/dev/api.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>API &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>API &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
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   <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="_static/documentation_options.js?v=a6836f82"></script>
+    <script src="_static/documentation_options.js?v=3170e762"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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diff --git a/dev/generated/openmmml.MLPotential.html b/dev/generated/openmmml.MLPotential.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>openmmml.MLPotential &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>openmmml.MLPotential &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
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-    <script src="../_static/documentation_options.js?v=a6836f82"></script>
+    <script src="../_static/documentation_options.js?v=3170e762"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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diff --git a/dev/generated/openmmml.mlpotential.MLPotentialImpl.html b/dev/generated/openmmml.mlpotential.MLPotentialImpl.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>openmmml.mlpotential.MLPotentialImpl &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>openmmml.mlpotential.MLPotentialImpl &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
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-    <script src="../_static/documentation_options.js?v=a6836f82"></script>
+    <script src="../_static/documentation_options.js?v=3170e762"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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diff --git a/dev/generated/openmmml.mlpotential.MLPotentialImplFactory.html b/dev/generated/openmmml.mlpotential.MLPotentialImplFactory.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>openmmml.mlpotential.MLPotentialImplFactory &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>openmmml.mlpotential.MLPotentialImplFactory &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
 <link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="../_static/documentation_options.js?v=a6836f82"></script>
+    <script src="../_static/documentation_options.js?v=3170e762"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = 'generated/openmmml.mlpotential.MLPotentialImplFactory';</script>

diff --git a/dev/generated/openmmml.models.anipotential.ANIPotentialImpl.html b/dev/generated/openmmml.models.anipotential.ANIPotentialImpl.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>openmmml.models.anipotential.ANIPotentialImpl &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>openmmml.models.anipotential.ANIPotentialImpl &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
 <link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="../_static/documentation_options.js?v=a6836f82"></script>
+    <script src="../_static/documentation_options.js?v=3170e762"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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diff --git a/dev/genindex.html b/dev/genindex.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Index &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>Index &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -34,7 +34,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="_static/documentation_options.js?v=a6836f82"></script>
+    <script src="_static/documentation_options.js?v=3170e762"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = 'genindex';</script>

diff --git a/dev/index.html b/dev/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>OpenMM-ML &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>OpenMM-ML &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="_static/documentation_options.js?v=a6836f82"></script>
+    <script src="_static/documentation_options.js?v=3170e762"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = 'index';</script>

diff --git a/dev/search.html b/dev/search.html
@@ -6,7 +6,7 @@
 
   <head>
     <meta charset="utf-8" />
-    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - OpenMM ML 1.1dev_90984d5 documentation</title>
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -33,7 +33,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="_static/documentation_options.js?v=a6836f82"></script>
+    <script src="_static/documentation_options.js?v=3170e762"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = 'search';</script>

diff --git a/dev/searchindex.js b/dev/searchindex.js
diff --git a/dev/userguide.html b/dev/userguide.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>User Guide &#8212; OpenMM ML 1.1dev_90984d5 documentation</title>
+    <title>User Guide &#8212; OpenMM ML 1.1dev_3ca70f0 documentation</title>
 
 
 
@@ -35,7 +35,7 @@
 <link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
   <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
 
-    <script src="_static/documentation_options.js?v=a6836f82"></script>
+    <script src="_static/documentation_options.js?v=3170e762"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = 'userguide';</script>
@@ -442,6 +442,7 @@ <h2>OpenMM-ML<a class="headerlink" href="#openmm-ml" title="Link to this heading
 and <a class="reference external" href="https://pubs.acs.org/doi/full/10.1021/acs.jctc.0c00121">ANI-2x</a>, using the implementations in <a class="reference external" href="https://github.com/aiqm/torchani">TorchANI</a>.  They are
 suitable for small molecules involving a limited set of elements and no charges.  Future releases will add new potential
 functions that support a much wider range of molecules.</p>
+<p><strong>You can find the current documentation at https://openmm.github.io/openmm-ml</strong></p>
 <section id="installation">
 <h3>Installation<a class="headerlink" href="#installation" title="Link to this heading">#</a></h3>
 <p>OpenMM-ML can be installed with conda or mamba.</p>