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MolSSI · Jan 6, 2022 · 8f40e38 · 8f40e38
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Showing 11 changed files with 6 additions and 6 deletions.
diff --git a/docs/collections.html b/docs/collections.html
@@ -234,7 +234,7 @@ <h2>Trajectory<a class="headerlink" href="#trajectory" title="Permalink to this
 x1f,…,xnf, y1f,…,ynf, z1f,…,znf,
 ]</p></li>
 <li><p><strong>forces_units</strong> (<em>str</em><em>, </em><em>Default: kJ/</em><em>(</em><em>mol*angstrom</em><em>)</em>) – Units for atomic forces. Defaults to kJ/mol*angstrom.</p></li>
-<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.0+3.g53bf498’, ‘routine’: ‘mmelemental.models.collect.trajectory’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
+<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.1’, ‘routine’: ‘mmelemental.models.collect.trajectory’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
 <li><p><strong>extras</strong> (<em>Dict</em><em>[</em><em>Any</em><em>]</em><em>, </em><em>Optional</em>) – Additional information to bundle with this object. Use for schema development and scratch space.</p></li>
 </ul>
 </dd>

diff --git a/docs/forcefields.html b/docs/forcefields.html
@@ -224,7 +224,7 @@ <h2>ForceField<a class="headerlink" href="#forcefield" title="Permalink to this
 <li><p><strong>substructs</strong> (<em>List</em><em>[</em><em>Tuple</em><em>[</em><em>str</em><em>, </em><em>int</em><em>]</em><em>]</em><em>, </em><em>Optional</em>) – A list of substructure names the particles belong to. E.g. [(‘ALA’, 4), (‘ACE’, 0)] means atom1 belong to residue ALA (alanine) with residue number 4, while atom2 belongs to residue ACE (acetyl) with residue number 0.</p></li>
 <li><p><strong>templates</strong> (<em>Dict</em><em>[</em><em>List</em><em>[</em><em>str</em><em>]</em><em>]</em><em>, </em><em>Optional</em>) – A list of template definitions typically in terms of atom types. E.g. {‘ACE’: [‘HH31’, ‘CH3’, ‘HH32’, ‘HH33’, ‘C’, ‘O’]}.</p></li>
 <li><p><strong>atomic_numbers</strong> (<em>Array</em><em>, </em><em>Optional</em>) – An optional ordered 1-D array-like object of atomic numbers of shape (nat,). Index matches the 0-indexed indices of all other per-atom settings like <code class="docutils literal notranslate"><span class="pre">symbols</span></code>. Values are inferred from the <code class="docutils literal notranslate"><span class="pre">symbols</span></code> list if not explicitly set.</p></li>
-<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.0+3.g53bf498’, ‘routine’: ‘mmelemental.models.forcefield.forcefield’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
+<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.1’, ‘routine’: ‘mmelemental.models.forcefield.forcefield’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
 <li><p><strong>extras</strong> (<em>Dict</em><em>[</em><em>Any</em><em>]</em><em>, </em><em>Optional</em>) – Additional information to bundle with the object. Use for schema development and scratch space.</p></li>
 </ul>
 </dd>

diff --git a/docs/objects.inv b/docs/objects.inv
diff --git a/docs/searchindex.js b/docs/searchindex.js
diff --git a/docs/src/_build/doctrees/collections.doctree b/docs/src/_build/doctrees/collections.doctree
diff --git a/docs/src/_build/doctrees/environment.pickle b/docs/src/_build/doctrees/environment.pickle
diff --git a/docs/src/_build/doctrees/forcefields.doctree b/docs/src/_build/doctrees/forcefields.doctree
diff --git a/docs/src/_build/html/collections.html b/docs/src/_build/html/collections.html
@@ -234,7 +234,7 @@ <h2>Trajectory<a class="headerlink" href="#trajectory" title="Permalink to this
 x1f,…,xnf, y1f,…,ynf, z1f,…,znf,
 ]</p></li>
 <li><p><strong>forces_units</strong> (<em>str</em><em>, </em><em>Default: kJ/</em><em>(</em><em>mol*angstrom</em><em>)</em>) – Units for atomic forces. Defaults to kJ/mol*angstrom.</p></li>
-<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.0+3.g53bf498’, ‘routine’: ‘mmelemental.models.collect.trajectory’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
+<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.1’, ‘routine’: ‘mmelemental.models.collect.trajectory’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
 <li><p><strong>extras</strong> (<em>Dict</em><em>[</em><em>Any</em><em>]</em><em>, </em><em>Optional</em>) – Additional information to bundle with this object. Use for schema development and scratch space.</p></li>
 </ul>
 </dd>

diff --git a/docs/src/_build/html/forcefields.html b/docs/src/_build/html/forcefields.html
@@ -224,7 +224,7 @@ <h2>ForceField<a class="headerlink" href="#forcefield" title="Permalink to this
 <li><p><strong>substructs</strong> (<em>List</em><em>[</em><em>Tuple</em><em>[</em><em>str</em><em>, </em><em>int</em><em>]</em><em>]</em><em>, </em><em>Optional</em>) – A list of substructure names the particles belong to. E.g. [(‘ALA’, 4), (‘ACE’, 0)] means atom1 belong to residue ALA (alanine) with residue number 4, while atom2 belongs to residue ACE (acetyl) with residue number 0.</p></li>
 <li><p><strong>templates</strong> (<em>Dict</em><em>[</em><em>List</em><em>[</em><em>str</em><em>]</em><em>]</em><em>, </em><em>Optional</em>) – A list of template definitions typically in terms of atom types. E.g. {‘ACE’: [‘HH31’, ‘CH3’, ‘HH32’, ‘HH33’, ‘C’, ‘O’]}.</p></li>
 <li><p><strong>atomic_numbers</strong> (<em>Array</em><em>, </em><em>Optional</em>) – An optional ordered 1-D array-like object of atomic numbers of shape (nat,). Index matches the 0-indexed indices of all other per-atom settings like <code class="docutils literal notranslate"><span class="pre">symbols</span></code>. Values are inferred from the <code class="docutils literal notranslate"><span class="pre">symbols</span></code> list if not explicitly set.</p></li>
-<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.0+3.g53bf498’, ‘routine’: ‘mmelemental.models.forcefield.forcefield’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
+<li><p><strong>provenance</strong> (<code class="xref py py-class docutils literal notranslate"><span class="pre">Provenance</span></code>, Default: {‘creator’: ‘MMElemental’, ‘version’: ‘v0.1.1’, ‘routine’: ‘mmelemental.models.forcefield.forcefield’}) – The provenance information about how this object (and its attributes) were generated, provided, and manipulated.</p></li>
 <li><p><strong>extras</strong> (<em>Dict</em><em>[</em><em>Any</em><em>]</em><em>, </em><em>Optional</em>) – Additional information to bundle with the object. Use for schema development and scratch space.</p></li>
 </ul>
 </dd>

diff --git a/docs/src/_build/html/objects.inv b/docs/src/_build/html/objects.inv
diff --git a/docs/src/_build/html/searchindex.js b/docs/src/_build/html/searchindex.js