<!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::OneBodyDerivInt class 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 14:17:15 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::OneBodyDerivInt Class Reference</h1><a class="el" href="class_sc__OneBodyInt.html">OneBodyInt</a> is an abstract base class for objects that compute one body derivative integrals. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="obint_h-source.html">obint.h</a>></code> <p> Inheritance diagram for sc::OneBodyDerivInt<p><center><img src="class_sc__OneBodyDerivInt_inherit_graph.gif" border="0" usemap="#sc::OneBodyDerivInt_inherit_map" alt="Inheritance graph"></center> <map name="sc::OneBodyDerivInt_inherit_map"> <area href="class_sc__OneBodyDerivIntV3.html" shape="rect" coords="14,214,158,232"> <area href="class_sc__RefCount.html" shape="rect" coords="45,80,127,99"> <area href="class_sc__Identity.html" shape="rect" coords="50,14,122,32"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::OneBodyDerivInt:<p><center><img src="class_sc__OneBodyDerivInt_coll_graph.gif" border="0" usemap="#sc::OneBodyDerivInt_coll_map" alt="Collaboration graph"></center> <map name="sc::OneBodyDerivInt_coll_map"> <area href="class_sc__RefCount.html" shape="rect" coords="441,83,523,102"> <area href="class_sc__DescribedClass.html" shape="rect" coords="357,153,471,171"> <area href="class_sc__Identity.html" shape="rect" coords="446,14,518,33"> <area href="class_sc__Ref.html" shape="rect" coords="14,222,182,241"> <area href="class_sc__Integral.html" shape="rect" coords="239,359,311,378"> <area href="class_sc__RefBase.html" shape="rect" coords="145,153,222,171"> <area href="class_sc__Ref.html" shape="rect" coords="206,222,345,241"> <area href="class_sc__SavableState.html" shape="rect" coords="369,222,470,241"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__OneBodyDerivInt-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::OneBodyDerivInt::OneBodyDerivInt"></a> </td><td valign=bottom><b>OneBodyDerivInt</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::OneBodyDerivInt::OneBodyDerivInt"></a> </td><td valign=bottom><b>OneBodyDerivInt</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b1, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b2)</td></tr> <tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::OneBodyDerivInt::~OneBodyDerivInt"></a> virtual </td><td valign=bottom><b>~OneBodyDerivInt</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::OneBodyDerivInt::nbasis"></a> int </td><td valign=bottom><a class="el" href="class_sc__OneBodyDerivInt.html#a3">nbasis</a> () const</td></tr> <tr><td> </td><td><font size=-1><em>Return the number of basis functions on center one.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::OneBodyDerivInt::nshell"></a> int </td><td valign=bottom><a class="el" href="class_sc__OneBodyDerivInt.html#a6">nshell</a> () const</td></tr> <tr><td> </td><td><font size=-1><em>Return the number of shells on center one.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::OneBodyDerivInt::basis"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><a class="el" href="class_sc__OneBodyDerivInt.html#a9">basis</a> ()</td></tr> <tr><td> </td><td><font size=-1><em>Return the basis set on center one.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::OneBodyDerivInt::buffer"></a> const double* </td><td valign=bottom><a class="el" href="class_sc__OneBodyDerivInt.html#a12">buffer</a> () const</td></tr> <tr><td> </td><td><font size=-1><em>The computed shell integrals will be put in the buffer returned by this member.</em></font><br><br></td></tr> <tr><td colspan="2"><div class="groupHeader"></div></td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::OneBodyDerivInt::nbasis1"></a> int </td><td valign=bottom><b>nbasis1</b> () const</td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::OneBodyDerivInt::nbasis2"></a> int </td><td valign=bottom><b>nbasis2</b> () const</td></tr> <tr><td colspan="2"><div class="groupHeader"></div></td></tr> <tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::OneBodyDerivInt::nshell1"></a> int </td><td valign=bottom><b>nshell1</b> () const</td></tr> <tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::OneBodyDerivInt::nshell2"></a> int </td><td valign=bottom><b>nshell2</b> () const</td></tr> <tr><td colspan="2"><div class="groupHeader"></div></td></tr> <tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::OneBodyDerivInt::basis1"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>basis1</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::OneBodyDerivInt::basis2"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>basis2</b> ()</td></tr> <tr><td colspan="2"><div class="groupHeader"></div></td></tr> <tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::OneBodyDerivInt::compute_shell"></a> virtual void </td><td valign=bottom><b>compute_shell</b> (int ish, int jsh, <a class="el" href="class_sc__DerivCenters.html">DerivCenters</a> &)=0</td></tr> <tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::OneBodyDerivInt::compute_shell"></a> virtual void </td><td valign=bottom><b>compute_shell</b> (int ish, int jsh, int center)=0</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::OneBodyDerivInt::integral_"></a> <a class="el" href="class_sc__Integral.html">Integral</a>* </td><td valign=bottom><b>integral_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n1" doxytag="sc::OneBodyDerivInt::bs1"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>bs1</b></td></tr> <tr><td nowrap align=right valign=top><a name="n2" doxytag="sc::OneBodyDerivInt::bs2"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>bs2</b></td></tr> <tr><td nowrap align=right valign=top><a name="n3" doxytag="sc::OneBodyDerivInt::buffer_"></a> double* </td><td valign=bottom><b>buffer_</b></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="class_sc__OneBodyInt.html">OneBodyInt</a> is an abstract base class for objects that compute one body derivative integrals. <p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="obint_h-source.html">obint.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:17:16 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>
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