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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1PsiInput.html">PsiInput</a>
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<h1>sc::PsiInput Class Reference</h1><!-- doxytag: class="sc::PsiInput" --><!-- doxytag: inherits="sc::RefCount" --><a class="el" href="classsc_1_1PsiInput.html" title="PsiInput is a Psi input file.">PsiInput</a> is a Psi input file.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="psiinput_8h_source.html">psiinput.h</a>></code>
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Inheritance diagram for sc::PsiInput:</div>
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<p><center><img src="classsc_1_1PsiInput.png" usemap="#sc::PsiInput_map" border="0" alt=""></center>
<map name="sc::PsiInput_map">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,83,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,83,24">
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<p>
<a href="classsc_1_1PsiInput-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f887fd68fdb18e74a5f2f6872a5427c3"></a><!-- doxytag: member="sc::PsiInput::PsiInput" ref="f887fd68fdb18e74a5f2f6872a5427c3" args="(const string &name)" -->
</td><td class="memItemRight" valign="bottom"><b>PsiInput</b> (const string &name)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4bf614a21980224c42913380e10856d1"></a><!-- doxytag: member="sc::PsiInput::open" ref="4bf614a21980224c42913380e10856d1" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>open</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="73714973d955d976e9e4a3f0677393dc"></a><!-- doxytag: member="sc::PsiInput::close" ref="73714973d955d976e9e4a3f0677393dc" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>close</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="09d612d971083ad2d1a93703bf46eb70"></a><!-- doxytag: member="sc::PsiInput::print" ref="09d612d971083ad2d1a93703bf46eb70" args="(std::ostream &)" -->
void </td><td class="memItemRight" valign="bottom"><b>print</b> (std::ostream &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="163b86ee8118501db0315f9a99220211"></a><!-- doxytag: member="sc::PsiInput::begin_section" ref="163b86ee8118501db0315f9a99220211" args="(const char *s)" -->
void </td><td class="memItemRight" valign="bottom"><b>begin_section</b> (const char *s)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4d94850dbdd0b73956f51c3859ed8d35"></a><!-- doxytag: member="sc::PsiInput::end_section" ref="4d94850dbdd0b73956f51c3859ed8d35" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>end_section</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="dad6dc021ca5220d16f92ea19cdd8884"></a><!-- doxytag: member="sc::PsiInput::write_indent" ref="dad6dc021ca5220d16f92ea19cdd8884" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>write_indent</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4762beed46c5987cc3eb49fdedce4b08"></a><!-- doxytag: member="sc::PsiInput::incindent" ref="4762beed46c5987cc3eb49fdedce4b08" args="(int)" -->
void </td><td class="memItemRight" valign="bottom"><b>incindent</b> (int)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="71106a8ae93af12d378eaeb3f27f3250"></a><!-- doxytag: member="sc::PsiInput::decindent" ref="71106a8ae93af12d378eaeb3f27f3250" args="(int)" -->
void </td><td class="memItemRight" valign="bottom"><b>decindent</b> (int)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4e16c78a3557fa025706c7b2ddc64d84"></a><!-- doxytag: member="sc::PsiInput::write_comment" ref="4e16c78a3557fa025706c7b2ddc64d84" args="(const char *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_comment</b> (const char *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="81f7fbc9eed0766c1000c58433145196"></a><!-- doxytag: member="sc::PsiInput::write_keyword" ref="81f7fbc9eed0766c1000c58433145196" args="(const char *, const char *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_keyword</b> (const char *, const char *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5b95bbe8167aa0d9ca833091f5b7eca5"></a><!-- doxytag: member="sc::PsiInput::write_keyword" ref="5b95bbe8167aa0d9ca833091f5b7eca5" args="(const char *, int)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_keyword</b> (const char *, int)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b6378b15cb409338c5b87a74b334feea"></a><!-- doxytag: member="sc::PsiInput::write_keyword" ref="b6378b15cb409338c5b87a74b334feea" args="(const char *, double)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_keyword</b> (const char *, double)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="8857852fa8fe963a1b5cff41db6278d9"></a><!-- doxytag: member="sc::PsiInput::write_keyword_array" ref="8857852fa8fe963a1b5cff41db6278d9" args="(const char *, int, int *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_keyword_array</b> (const char *, int, int *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d2346a500f0a8107f7e39c0c296ae0e0"></a><!-- doxytag: member="sc::PsiInput::write_keyword_array" ref="d2346a500f0a8107f7e39c0c296ae0e0" args="(const char *, int, double *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_keyword_array</b> (const char *, int, double *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2cd4109cbdcbbf01c22bc2f2b1b6e672"></a><!-- doxytag: member="sc::PsiInput::write_string" ref="2cd4109cbdcbbf01c22bc2f2b1b6e672" args="(const char *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_string</b> (const char *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="104f1579e459eee4da84c0ab0426b844"></a><!-- doxytag: member="sc::PsiInput::write_key_wq" ref="104f1579e459eee4da84c0ab0426b844" args="(const char *, const char *)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_key_wq</b> (const char *, const char *)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2f7f3d769546fd04d834c9b2a26f5235"></a><!-- doxytag: member="sc::PsiInput::write_basis" ref="2f7f3d769546fd04d834c9b2a26f5235" args="(const Ref< GaussianBasisSet > &)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1PsiInput.html#2f7f3d769546fd04d834c9b2a26f5235">write_basis</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct the "basis" keyword for input. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6f5479e1c8575257534fd748e9651b7d"></a><!-- doxytag: member="sc::PsiInput::write_basis_sets" ref="6f5479e1c8575257534fd748e9651b7d" args="(const Ref< GaussianBasisSet > &)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1PsiInput.html#6f5479e1c8575257534fd748e9651b7d">write_basis_sets</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Write basis sets explicitly. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5d87ebe79d3a23bdbc75fea8a4bf9c41"></a><!-- doxytag: member="sc::PsiInput::write_geom" ref="5d87ebe79d3a23bdbc75fea8a4bf9c41" args="(const Ref< Molecule > &)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_geom</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Molecule.html">Molecule</a> > &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="51325bedacdbe1f5e80e7144b9315724"></a><!-- doxytag: member="sc::PsiInput::write_defaults" ref="51325bedacdbe1f5e80e7144b9315724" args="(const Ref< PsiExEnv > &, const char *dertype)" -->
void </td><td class="memItemRight" valign="bottom"><b>write_defaults</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1PsiExEnv.html">PsiExEnv</a> > &, const char *dertype)</td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="classsc_1_1PsiInput.html" title="PsiInput is a Psi input file.">PsiInput</a> is a Psi input file. <hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="psiinput_8h_source.html">psiinput.h</a></ul>
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distrib
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Mandriva
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2010.0
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i586
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media
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contrib-release
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by-pkgid
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247b28499c443e092731ffba814075f2
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files
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583
