deploy: 39a9380

xiaoruiDong · Sep 13, 2023 · 6e7c19d · 6e7c19d
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diff --git a/reference/external/logparser/base.html b/reference/external/logparser/base.html
@@ -748,7 +748,7 @@
 
 <dl class="py method">
 <dt class="sig sig-object py" id="rdmc.external.logparser.base.CclibLog.interact_irc">
-<span class="sig-name descname"><span class="pre">interact_irc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sanitize</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">converged</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">backend</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</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">'openbabel'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_update</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7fa8ca212bc0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.interact_irc" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">interact_irc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sanitize</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">converged</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">backend</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</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">'openbabel'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_update</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7f387e0f24d0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.interact_irc" title="Link to this definition">#</a></dt>
 <dd><p>Create a IPython interactive widget to investigate the IRC results.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -767,7 +767,7 @@
 
 <dl class="py method">
 <dt class="sig sig-object py" id="rdmc.external.logparser.base.CclibLog.interact_opt">
-<span class="sig-name descname"><span class="pre">interact_opt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sanitize</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">backend</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</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">'openbabel'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_update</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7fa8ca212bc0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.interact_opt" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">interact_opt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sanitize</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">backend</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</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">'openbabel'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_update</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</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">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7f387e0f24d0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.interact_opt" title="Link to this definition">#</a></dt>
 <dd><p>Create a IPython interactive widget to investigate the optimization convergence.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -904,7 +904,7 @@
 
 <dl class="py method">
 <dt class="sig sig-object py" id="rdmc.external.logparser.base.CclibLog.view_freq">
-<span class="sig-name descname"><span class="pre">view_freq</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mode_idx</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</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">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">frames</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</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">10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amplitude</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</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">1.0</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7fa8ca212bc0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.view_freq" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">view_freq</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mode_idx</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</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">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">frames</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</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">10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amplitude</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</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">1.0</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">&lt;ipywidgets.widgets.interaction._InteractFactory</span> <span class="pre">object</span> <span class="pre">at</span> <span class="pre">0x7f387e0f24d0&gt;</span></span></span><a class="headerlink" href="#rdmc.external.logparser.base.CclibLog.view_freq" title="Link to this definition">#</a></dt>
 <dd><p>Create a Py3DMol viewer for the frequency mode.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>

diff --git a/searchindex.js b/searchindex.js