Sophie

Sophie

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<hr><h1>sc::PsiInput  Class Reference</h1><a class="el" href="class_sc__PsiInput.html">PsiInput</a> is a Psi input file. 
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="psiinput_h-source.html">psiinput.h</a>&gt;</code>
<p>
Inheritance diagram for sc::PsiInput<p><center><img src="class_sc__PsiInput_inherit_graph.gif" border="0" usemap="#sc::PsiInput_inherit_map" alt="Inheritance graph"></center>
<map name="sc::PsiInput_inherit_map">
<area href="class_sc__RefCount.html" shape="rect" coords="14,80,97,99">
<area href="class_sc__Identity.html" shape="rect" coords="19,13,91,32">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::PsiInput:<p><center><img src="class_sc__PsiInput_coll_graph.gif" border="0" usemap="#sc::PsiInput_coll_map" alt="Collaboration graph"></center>
<map name="sc::PsiInput_coll_map">
<area href="class_sc__RefCount.html" shape="rect" coords="14,80,97,99">
<area href="class_sc__Identity.html" shape="rect" coords="19,13,91,32">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__PsiInput-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::PsiInput::PsiInput"></a>
&nbsp;</td><td valign=bottom><b>PsiInput</b> (const string &amp;name)</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::PsiInput::~PsiInput"></a>
&nbsp;</td><td valign=bottom><b>~PsiInput</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::PsiInput::open"></a>
void&nbsp;</td><td valign=bottom><b>open</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::PsiInput::close"></a>
void&nbsp;</td><td valign=bottom><b>close</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::PsiInput::print"></a>
void&nbsp;</td><td valign=bottom><b>print</b> (std::ostream &amp;)</td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::PsiInput::begin_section"></a>
void&nbsp;</td><td valign=bottom><b>begin_section</b> (const char *s)</td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::PsiInput::end_section"></a>
void&nbsp;</td><td valign=bottom><b>end_section</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::PsiInput::write_indent"></a>
void&nbsp;</td><td valign=bottom><b>write_indent</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::PsiInput::incindent"></a>
void&nbsp;</td><td valign=bottom><b>incindent</b> (int)</td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::PsiInput::decindent"></a>
void&nbsp;</td><td valign=bottom><b>decindent</b> (int)</td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::PsiInput::write_comment"></a>
void&nbsp;</td><td valign=bottom><b>write_comment</b> (const char *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::PsiInput::write_keyword"></a>
void&nbsp;</td><td valign=bottom><b>write_keyword</b> (const char *, const char *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::PsiInput::write_keyword"></a>
void&nbsp;</td><td valign=bottom><b>write_keyword</b> (const char *, int)</td></tr>
<tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::PsiInput::write_keyword"></a>
void&nbsp;</td><td valign=bottom><b>write_keyword</b> (const char *, double)</td></tr>
<tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::PsiInput::write_keyword_array"></a>
void&nbsp;</td><td valign=bottom><b>write_keyword_array</b> (const char *, int, int *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::PsiInput::write_keyword_array"></a>
void&nbsp;</td><td valign=bottom><b>write_keyword_array</b> (const char *, int, double *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::PsiInput::write_string"></a>
void&nbsp;</td><td valign=bottom><b>write_string</b> (const char *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a17" doxytag="sc::PsiInput::write_key_wq"></a>
void&nbsp;</td><td valign=bottom><b>write_key_wq</b> (const char *, const char *)</td></tr>
<tr><td nowrap align=right valign=top><a name="a18" doxytag="sc::PsiInput::write_basis"></a>
void&nbsp;</td><td valign=bottom><a class="el" href="class_sc__PsiInput.html#a18">write_basis</a> (const <a class="el" href="class_sc__Ref.html">Ref</a>&lt; <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;)</td></tr>
<tr><td>&nbsp;</td><td><font size=-1><em>Construct the "basis" keyword for input.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a19" doxytag="sc::PsiInput::write_basis_sets"></a>
void&nbsp;</td><td valign=bottom><a class="el" href="class_sc__PsiInput.html#a19">write_basis_sets</a> (const <a class="el" href="class_sc__Ref.html">Ref</a>&lt; <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> &gt; &amp;)</td></tr>
<tr><td>&nbsp;</td><td><font size=-1><em>Write basis sets explicitly.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a20" doxytag="sc::PsiInput::write_geom"></a>
void&nbsp;</td><td valign=bottom><b>write_geom</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>&lt; <a class="el" href="class_sc__Molecule.html">Molecule</a> &gt; &amp;)</td></tr>
<tr><td nowrap align=right valign=top><a name="a21" doxytag="sc::PsiInput::write_defaults"></a>
void&nbsp;</td><td valign=bottom><b>write_defaults</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>&lt; <a class="el" href="class_sc__PsiExEnv.html">PsiExEnv</a> &gt; &amp;, const char *dertype)</td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="class_sc__PsiInput.html">PsiInput</a> is a Psi input file.
<p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="psiinput_h-source.html">psiinput.h</a></ul>
<hr>
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