<!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::ScaledTorsSimpleCo 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 14:17:38 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::ScaledTorsSimpleCo Class Reference</h1>The <a class="el" href="class_sc__ScaledTorsSimpleCo.html">ScaledTorsSimpleCo</a> class describes an scaled torsion internal coordinate of a molecule. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="simple_h-source.html">simple.h</a>></code> <p> Inheritance diagram for sc::ScaledTorsSimpleCo<p><center><img src="class_sc__ScaledTorsSimpleCo_inherit_graph.gif" border="0" usemap="#sc::ScaledTorsSimpleCo_inherit_map" alt="Inheritance graph"></center> <map name="sc::ScaledTorsSimpleCo_inherit_map"> <area href="class_sc__SimpleCo.html" shape="rect" coords="43,347,129,366"> <area href="class_sc__IntCoor.html" shape="rect" coords="50,280,122,299"> <area href="class_sc__SavableState.html" shape="rect" coords="35,214,137,232"> <area href="class_sc__DescribedClass.html" shape="rect" coords="29,147,143,166"> <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::ScaledTorsSimpleCo:<p><center><img src="class_sc__ScaledTorsSimpleCo_coll_graph.gif" border="0" usemap="#sc::ScaledTorsSimpleCo_coll_map" alt="Collaboration graph"></center> <map name="sc::ScaledTorsSimpleCo_coll_map"> <area href="class_sc__SimpleCo.html" shape="rect" coords="43,347,129,366"> <area href="class_sc__IntCoor.html" shape="rect" coords="50,280,122,299"> <area href="class_sc__SavableState.html" shape="rect" coords="35,214,137,232"> <area href="class_sc__DescribedClass.html" shape="rect" coords="29,147,143,166"> <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><a href="class_sc__ScaledTorsSimpleCo-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> The <a class="el" href="class_sc__ScaledTorsSimpleCo.html">ScaledTorsSimpleCo</a> class describes an scaled torsion internal coordinate of a molecule. <p> The scaled torsion is more stable that ordinary torsions (see the <a class="el" href="class_sc__TorsSimpleCo.html">TorsSimpleCo</a> class) in describing situations where one of the torsions plane's is given by three near linear atoms. <p> Designating the four atoms as <img align="top" src="form-16.gif"> , <img align="top" src="form-17.gif"> , <img align="top" src="form-22.gif"> , and <img align="top" src="form-28.gif"> and their cartesian positions as <img align="top" src="form-18.gif"> , <img align="top" src="form-19.gif"> , <img align="top" src="form-23.gif"> , and <img align="top" src="form-29.gif"> , the value of the coordinate, <img align="top" src="form-36.gif"> , is given by <p> <p><center> <img align="top" src="form-25.gif"> </center><p> <p><center> <img align="top" src="form-26.gif"> </center><p> <p><center> <img align="top" src="form-31.gif"> </center><p> <p><center> <img align="top" src="form-37.gif"> </center><p> <p><center> <img align="top" src="form-38.gif"> </center><p> <p><center> <img align="top" src="form-39.gif"> </center><p> <p><center> <img align="top" src="form-40.gif"> </center><p> <p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="simple_h-source.html">simple.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:17:38 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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