<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>sc::PointInputData struct Reference</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:17:21 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>sc::PointInputData Struct Reference</h1>Contains data needed at each point by a <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a>. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="functional_h-source.html">functional.h</a>></code> <p> Collaboration diagram for sc::PointInputData:<p><center><img src="struct_sc__PointInputData_coll_graph.gif" border="0" usemap="#sc::PointInputData_coll_map" alt="Collaboration graph"></center> <map name="sc::PointInputData_coll_map"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="struct_sc__PointInputData-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0> <tr><td colspan=2><br><h2>Public Types</h2></td></tr> <tr><td nowrap align=right valign=top>enum </td><td valign=bottom>{ <b>X</b> = 0, <b>Y</b> = 1, <b>Z</b> = 2 }</td></tr> <tr><td nowrap align=right valign=top>enum </td><td valign=bottom>{ <br> <b>XX</b> = 0, <b>YX</b> = 1, <b>YY</b> = 2, <b>ZX</b> = 3, <br> <b>ZY</b> = 4, <b>ZZ</b> = 5 <br> }</td></tr> <tr><td colspan=2><br><h2>Public Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::PointInputData::compute_derived"></a> void </td><td valign=bottom><b>compute_derived</b> (int spin_polarized, int need_gradient)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::PointInputData::PointInputData"></a> </td><td valign=bottom><b>PointInputData</b> (const SCVector3 &r_)</td></tr> <tr><td colspan=2><br><h2>Public Attributes</h2></td></tr> <tr><td nowrap align=right valign=top><a name="m0" doxytag="sc::PointInputData::a"></a> SpinData </td><td valign=bottom><b>a</b></td></tr> <tr><td nowrap align=right valign=top><a name="m1" doxytag="sc::PointInputData::b"></a> SpinData </td><td valign=bottom><b>b</b></td></tr> <tr><td nowrap align=right valign=top><a name="m2" doxytag="sc::PointInputData::gamma_ab"></a> double </td><td valign=bottom><b>gamma_ab</b></td></tr> <tr><td nowrap align=right valign=top><a name="m3" doxytag="sc::PointInputData::r"></a> const SCVector3& </td><td valign=bottom><b>r</b></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> Contains data needed at each point by a <a class="el" href="class_sc__DenFunctional.html">DenFunctional</a>. <p> <hr>The documentation for this struct was generated from the following file:<ul> <li><a class="el" href="functional_h-source.html">functional.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:17:21 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>