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<title>pymatgen.io.abinit.helpers module — pymatgen 2019.5.1 documentation</title>
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<div class="section" id="module-pymatgen.io.abinit.helpers">
<span id="pymatgen-io-abinit-helpers-module"></span><h1>pymatgen.io.abinit.helpers module<a class="headerlink" href="#module-pymatgen.io.abinit.helpers" title="Permalink to this headline">¶</a></h1>
<p>Helper methods for generating gw input / and work flows.</p>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.add_gg_gap">
<code class="descname">add_gg_gap</code><span class="sig-paren">(</span><em>structure</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#add_gg_gap"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.add_gg_gap" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.clean">
<code class="descname">clean</code><span class="sig-paren">(</span><em>some_string</em>, <em>uppercase=False</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#clean"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.clean" title="Permalink to this definition">¶</a></dt>
<dd><p>helper to clean up an input string</p>
</dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.expand">
<code class="descname">expand</code><span class="sig-paren">(</span><em>tests</em>, <em>level</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#expand"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.expand" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.is_converged">
<code class="descname">is_converged</code><span class="sig-paren">(</span><em>hartree_parameters</em>, <em>structure</em>, <em>return_values=False</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#is_converged"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.is_converged" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.now">
<code class="descname">now</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#now"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.now" title="Permalink to this definition">¶</a></dt>
<dd><p>helper to return a time string</p>
</dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.print_gnuplot_header">
<code class="descname">print_gnuplot_header</code><span class="sig-paren">(</span><em>filename</em>, <em>title=''</em>, <em>mode='convplot'</em>, <em>filetype='jpeg'</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#print_gnuplot_header"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.print_gnuplot_header" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.read_extra_abivars">
<code class="descname">read_extra_abivars</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#read_extra_abivars"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.read_extra_abivars" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.read_grid_from_file">
<code class="descname">read_grid_from_file</code><span class="sig-paren">(</span><em>filename</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#read_grid_from_file"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.read_grid_from_file" title="Permalink to this definition">¶</a></dt>
<dd><p>Read the results of a full set of calculations from file</p>
</dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.refine_structure">
<code class="descname">refine_structure</code><span class="sig-paren">(</span><em>structure</em>, <em>symprec=0.001</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#refine_structure"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.refine_structure" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.s_name">
<code class="descname">s_name</code><span class="sig-paren">(</span><em>structure</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#s_name"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.s_name" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
<dl class="function">
<dt id="pymatgen.io.abinit.helpers.store_conv_results">
<code class="descname">store_conv_results</code><span class="sig-paren">(</span><em>name</em>, <em>folder</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/abinit/helpers.html#store_conv_results"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.abinit.helpers.store_conv_results" title="Permalink to this definition">¶</a></dt>
<dd></dd></dl>
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