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<hr><h1>sc::RadialAngularIntegrator Class Reference</h1>An implementation of an integrator using any combination of a RadianIntegrator and an <a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="integrator_h-source.html">integrator.h</a>></code>
<p>
Inheritance diagram for sc::RadialAngularIntegrator<p><center><img src="class_sc__RadialAngularIntegrator_inherit_graph.gif" border="0" usemap="#sc::RadialAngularIntegrator_inherit_map" alt="Inheritance graph"></center>
<map name="sc::RadialAngularIntegrator_inherit_map">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::RadialAngularIntegrator:<p><center><img src="class_sc__RadialAngularIntegrator_coll_graph.gif" border="0" usemap="#sc::RadialAngularIntegrator_coll_map" alt="Collaboration graph"></center>
<map name="sc::RadialAngularIntegrator_coll_map">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__RadialAngularIntegrator-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::RadialAngularIntegrator::RadialAngularIntegrator"></a>
</td><td valign=bottom><b>RadialAngularIntegrator</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::RadialAngularIntegrator::RadialAngularIntegrator"></a>
</td><td valign=bottom><b>RadialAngularIntegrator</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::RadialAngularIntegrator::RadialAngularIntegrator"></a>
</td><td valign=bottom><b>RadialAngularIntegrator</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::RadialAngularIntegrator::~RadialAngularIntegrator"></a>
</td><td valign=bottom><b>~RadialAngularIntegrator</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__RadialAngularIntegrator.html#a4">save_data_state</a> (<a class="el" href="class_sc__StateOut.html">StateOut</a> &)</td></tr>
<tr><td> </td><td><font size=-1><em>Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.</em> <a href="#a4">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__RadialAngularIntegrator.html#a5">integrate</a> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a> > &, const <a class="el" href="class_sc__RefSymmSCMatrix.html">RefSymmSCMatrix</a> &densa=0, const <a class="el" href="class_sc__RefSymmSCMatrix.html">RefSymmSCMatrix</a> &densb=0, double *nuclear_gradient=0)</td></tr>
<tr><td> </td><td><font size=-1><em>Performs the integration of the given functional using the given alpha and beta density matrices.</em> <a href="#a5">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::RadialAngularIntegrator::print"></a>
void </td><td valign=bottom><a class="el" href="class_sc__RadialAngularIntegrator.html#a6">print</a> (std::ostream &=ExEnv::out0()) const</td></tr>
<tr><td> </td><td><font size=-1><em>Print the object.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::RadialAngularIntegrator::get_angular_grid"></a>
<a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>* </td><td valign=bottom><b>get_angular_grid</b> (double radius, double atomic_radius, int charge, int deriv_order)</td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::RadialAngularIntegrator::get_radial_grid"></a>
<a class="el" href="class_sc__RadialIntegrator.html">RadialIntegrator</a>* </td><td valign=bottom><b>get_radial_grid</b> (int charge, int deriv_order)</td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::RadialAngularIntegrator::init_default_grids"></a>
void </td><td valign=bottom><b>init_default_grids</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::RadialAngularIntegrator::angular_grid_offset"></a>
int </td><td valign=bottom><b>angular_grid_offset</b> (int i)</td></tr>
<tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::RadialAngularIntegrator::set_grids"></a>
void </td><td valign=bottom><b>set_grids</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::RadialAngularIntegrator::get_atomic_row"></a>
int </td><td valign=bottom><b>get_atomic_row</b> (int i)</td></tr>
<tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::RadialAngularIntegrator::init_parameters"></a>
void </td><td valign=bottom><b>init_parameters</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::RadialAngularIntegrator::init_parameters"></a>
void </td><td valign=bottom><b>init_parameters</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &keyval)</td></tr>
<tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::RadialAngularIntegrator::init_pruning_coefficients"></a>
void </td><td valign=bottom><b>init_pruning_coefficients</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &keyval)</td></tr>
<tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::RadialAngularIntegrator::init_pruning_coefficients"></a>
void </td><td valign=bottom><b>init_pruning_coefficients</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a17" doxytag="sc::RadialAngularIntegrator::init_alpha_coefficients"></a>
void </td><td valign=bottom><b>init_alpha_coefficients</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a18" doxytag="sc::RadialAngularIntegrator::select_dynamic_grid"></a>
int </td><td valign=bottom><b>select_dynamic_grid</b> (void)</td></tr>
<tr><td nowrap align=right valign=top><a name="a19" doxytag="sc::RadialAngularIntegrator::weight"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__IntegrationWeight.html">IntegrationWeight</a>> </td><td valign=bottom><b>weight</b> ()</td></tr>
<tr><td colspan=2><br><h2>Protected Attributes</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="n0" doxytag="sc::RadialAngularIntegrator::weight_"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__IntegrationWeight.html">IntegrationWeight</a>> </td><td valign=bottom><b>weight_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n1" doxytag="sc::RadialAngularIntegrator::radial_user_"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__RadialIntegrator.html">RadialIntegrator</a>> </td><td valign=bottom><b>radial_user_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n2" doxytag="sc::RadialAngularIntegrator::angular_user_"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>> </td><td valign=bottom><b>angular_user_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n3" doxytag="sc::RadialAngularIntegrator::angular_grid_"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>>*** </td><td valign=bottom><b>angular_grid_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n4" doxytag="sc::RadialAngularIntegrator::radial_grid_"></a>
<a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__RadialIntegrator.html">RadialIntegrator</a>>** </td><td valign=bottom><b>radial_grid_</b></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
An implementation of an integrator using any combination of a RadianIntegrator and an <a class="el" href="class_sc__AngularIntegrator.html">AngularIntegrator</a>.
<p>
<hr><h2>Member Function Documentation</h2>
<a name="a5" doxytag="sc::RadialAngularIntegrator::integrate"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
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void sc::RadialAngularIntegrator::integrate (
</b></td>
<td valign="bottom"><b>
const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a> > &,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
const <a class="el" href="class_sc__RefSymmSCMatrix.html">RefSymmSCMatrix</a> & <em>densa</em> = 0,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
const <a class="el" href="class_sc__RefSymmSCMatrix.html">RefSymmSCMatrix</a> & <em>densb</em> = 0,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
double * <em>nuclear_gradient</em> = 0 )<code> [virtual]</code>
</b></td>
</tr>
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</td>
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<td>
</td>
<td>
<p>
Performs the integration of the given functional using the given alpha and beta density matrices.
<p>
The nuclear derivative contribution is placed in nuclear_grad, if it is non-null.
<p>
Reimplemented from <a class="el" href="class_sc__DenIntegrator.html#a14">sc::DenIntegrator</a>. </td>
</tr>
</table>
<a name="a4" doxytag="sc::RadialAngularIntegrator::save_data_state"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
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<td class="md">
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<td nowrap valign="top"><b>
void sc::RadialAngularIntegrator::save_data_state (
</b></td>
<td valign="bottom"><b>
<a class="el" href="class_sc__StateOut.html">StateOut</a> & <em>s</em> )<code> [virtual]</code>
</b></td>
</tr>
</table>
</td>
</tr>
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<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.
<p>
This must be implemented by the derived class if the class has data.
<p>
Reimplemented from <a class="el" href="class_sc__DenIntegrator.html#a4">sc::DenIntegrator</a>. </td>
</tr>
</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="integrator_h-source.html">integrator.h</a></ul>
<hr>
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