<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html><head><meta http-equiv="Content-Type" content="text/html;charset=UTF-8">
<title>MPQC: cartit.h Source File</title>
<link href="tabs.css" rel="stylesheet" type="text/css">
<link href="doxygen.css" rel="stylesheet" type="text/css">
</head><body>
<!-- Generated by Doxygen 1.5.9 -->
<div class="navigation" id="top">
<div class="tabs">
<ul>
<li><a href="index.html"><span>Main Page</span></a></li>
<li><a href="pages.html"><span>Related Pages</span></a></li>
<li><a href="annotated.html"><span>Classes</span></a></li>
<li class="current"><a href="files.html"><span>Files</span></a></li>
</ul>
</div>
<div class="tabs">
<ul>
<li><a href="files.html"><span>File List</span></a></li>
</ul>
</div>
<h1>cartit.h</h1><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">//</span>
<a name="l00002"></a>00002 <span class="comment">// cartit.h</span>
<a name="l00003"></a>00003 <span class="comment">//</span>
<a name="l00004"></a>00004 <span class="comment">// Copyright (C) 2001 Edward Valeev</span>
<a name="l00005"></a>00005 <span class="comment">//</span>
<a name="l00006"></a>00006 <span class="comment">// Author: Edward Valeev <edward.valeev@chemistry.gatech.edu></span>
<a name="l00007"></a>00007 <span class="comment">// Maintainer: EV</span>
<a name="l00008"></a>00008 <span class="comment">//</span>
<a name="l00009"></a>00009 <span class="comment">// This file is part of the SC Toolkit.</span>
<a name="l00010"></a>00010 <span class="comment">//</span>
<a name="l00011"></a>00011 <span class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</span>
<a name="l00012"></a>00012 <span class="comment">// it under the terms of the GNU Library General Public License as published by</span>
<a name="l00013"></a>00013 <span class="comment">// the Free Software Foundation; either version 2, or (at your option)</span>
<a name="l00014"></a>00014 <span class="comment">// any later version.</span>
<a name="l00015"></a>00015 <span class="comment">//</span>
<a name="l00016"></a>00016 <span class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</span>
<a name="l00017"></a>00017 <span class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00018"></a>00018 <span class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00019"></a>00019 <span class="comment">// GNU Library General Public License for more details.</span>
<a name="l00020"></a>00020 <span class="comment">//</span>
<a name="l00021"></a>00021 <span class="comment">// You should have received a copy of the GNU Library General Public License</span>
<a name="l00022"></a>00022 <span class="comment">// along with the SC Toolkit; see the file COPYING.LIB. If not, write to</span>
<a name="l00023"></a>00023 <span class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</span>
<a name="l00024"></a>00024 <span class="comment">//</span>
<a name="l00025"></a>00025 <span class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</span>
<a name="l00026"></a>00026 <span class="comment">//</span>
<a name="l00027"></a>00027
<a name="l00028"></a>00028 <span class="preprocessor">#ifndef _chemistry_qc_cints_cartit_h</span>
<a name="l00029"></a>00029 <span class="preprocessor"></span><span class="preprocessor">#define _chemistry_qc_cints_cartit_h</span>
<a name="l00030"></a>00030 <span class="preprocessor"></span>
<a name="l00031"></a>00031 <span class="preprocessor">#include <chemistry/qc/basis/cartiter.h></span>
<a name="l00032"></a>00032
<a name="l00033"></a>00033 <span class="keyword">namespace </span>sc {
<a name="l00034"></a>00034
<a name="l00035"></a>00035 <span class="keyword">class </span>CartesianIterCCA : <span class="keyword">public</span> CartesianIter {
<a name="l00036"></a>00036 <span class="keywordtype">int</span> *avec, *bvec, *cvec;
<a name="l00037"></a>00037
<a name="l00038"></a>00038 <span class="keyword">public</span>:
<a name="l00039"></a>00039 CartesianIterCCA(<span class="keywordtype">int</span> l) : <a class="code" href="classsc_1_1CartesianIter.html#4b641d240b815311be1c57e652550da5" title="Initialize an iterator for the given angular momentum.">CartesianIter</a>(l) {}
<a name="l00040"></a>00040
<a name="l00041"></a>00041 <span class="keywordtype">void</span> start() {
<a name="l00042"></a>00042 bfn_=b_=c_=0;
<a name="l00043"></a>00043 a_=l_;
<a name="l00044"></a>00044 }
<a name="l00045"></a>00045
<a name="l00046"></a>00046 <span class="keywordtype">void</span> next() {
<a name="l00047"></a>00047 <span class="keywordflow">if</span> (c_ < l_ - a_) {
<a name="l00048"></a>00048 b_--;
<a name="l00049"></a>00049 c_++;
<a name="l00050"></a>00050 }
<a name="l00051"></a>00051 <span class="keywordflow">else</span> {
<a name="l00052"></a>00052 a_--;
<a name="l00053"></a>00053 c_ = 0;
<a name="l00054"></a>00054 b_ = l_ - a_;
<a name="l00055"></a>00055 }
<a name="l00056"></a>00056 bfn_++;
<a name="l00057"></a>00057 }
<a name="l00058"></a>00058
<a name="l00059"></a>00059 operator int() {
<a name="l00060"></a>00060 <span class="keywordflow">return</span> (a_ >= 0);
<a name="l00061"></a>00061 }
<a name="l00062"></a>00062 };
<a name="l00063"></a>00063
<a name="l00064"></a>00064 <span class="keyword">class </span>RedundantCartesianIterCCA : <span class="keyword">public</span> RedundantCartesianIter {
<a name="l00065"></a>00065 <span class="keyword">public</span>:
<a name="l00066"></a>00066 RedundantCartesianIterCCA(<span class="keywordtype">int</span> l) : <a class="code" href="classsc_1_1RedundantCartesianIter.html#d538003713c56ebe00c58c8d1485d27c" title="Create a object for the given angular momentum.">RedundantCartesianIter</a>(l) {}
<a name="l00067"></a>00067
<a name="l00068"></a>00068 <span class="keywordtype">int</span> bfn() {
<a name="l00069"></a>00069 <span class="keywordtype">int</span> i = <a class="code" href="classsc_1_1RedundantCartesianIter.html#5d5d9b5c64179f7e7f6467ec87424bef" title="The current exponent of x.">a</a>();
<a name="l00070"></a>00070 <span class="keywordtype">int</span> am = <a class="code" href="classsc_1_1RedundantCartesianIter.html#57d98df9d724ffeac59b2420fa7090d3" title="The angular momentum.">l</a>();
<a name="l00071"></a>00071 <span class="keywordflow">if</span> (am == i)
<a name="l00072"></a>00072 <span class="keywordflow">return</span> 0;
<a name="l00073"></a>00073 <span class="keywordflow">else</span> {
<a name="l00074"></a>00074 <span class="keywordtype">int</span> j = <a class="code" href="classsc_1_1RedundantCartesianIter.html#acc1eb5686cf0f88ded9c8b7a858f811" title="The current exponent of y.">b</a>();
<a name="l00075"></a>00075 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1RedundantCartesianIter.html#e9de78b58df5f7be859d183b6bb7c454" title="The current exponent of z.">c</a> = am - i;
<a name="l00076"></a>00076 <span class="keywordflow">return</span> ((((c+1)*c)>>1)+c-j);
<a name="l00077"></a>00077 }
<a name="l00078"></a>00078 }
<a name="l00079"></a>00079 };
<a name="l00080"></a>00080
<a name="l00081"></a>00081 <span class="keyword">class </span>RedundantCartesianSubIterCCA : <span class="keyword">public</span> RedundantCartesianSubIter {
<a name="l00082"></a>00082 <span class="keyword">public</span>:
<a name="l00083"></a>00083 RedundantCartesianSubIterCCA(<span class="keywordtype">int</span> l) : <a class="code" href="classsc_1_1RedundantCartesianSubIter.html#3f2022cd253c433dd84269f7cbb21b2d" title="Create a object for the given angular momentum.">RedundantCartesianSubIter</a>(l) {}
<a name="l00084"></a>00084
<a name="l00085"></a>00085 <span class="keywordtype">int</span> bfn() {
<a name="l00086"></a>00086 <span class="keywordtype">int</span> i = <a class="code" href="classsc_1_1RedundantCartesianSubIter.html#4fd4fb60c2bfb16c3112628517bd0d89" title="The current exponent of x.">a</a>();
<a name="l00087"></a>00087 <span class="keywordtype">int</span> am = <a class="code" href="classsc_1_1RedundantCartesianSubIter.html#345f328b617622164465923a437d4498" title="The angular momentum.">l</a>();
<a name="l00088"></a>00088 <span class="keywordflow">if</span> (am == i)
<a name="l00089"></a>00089 <span class="keywordflow">return</span> 0;
<a name="l00090"></a>00090 <span class="keywordflow">else</span> {
<a name="l00091"></a>00091 <span class="keywordtype">int</span> j = <a class="code" href="classsc_1_1RedundantCartesianSubIter.html#a2a2fc0d86b364430758e2eadf20240b" title="The current exponent of y.">b</a>();
<a name="l00092"></a>00092 <span class="keywordtype">int</span> c = am - i;
<a name="l00093"></a>00093 <span class="keywordflow">return</span> ((((c+1)*c)>>1)+c-j);
<a name="l00094"></a>00094 }
<a name="l00095"></a>00095 }
<a name="l00096"></a>00096 };
<a name="l00097"></a>00097
<a name="l00098"></a>00098 }
<a name="l00099"></a>00099
<a name="l00100"></a>00100 <span class="preprocessor">#endif</span>
<a name="l00101"></a>00101 <span class="preprocessor"></span>
<a name="l00102"></a>00102 <span class="comment">// Local Variables:</span>
<a name="l00103"></a>00103 <span class="comment">// mode: c++</span>
<a name="l00104"></a>00104 <span class="comment">// c-file-style: "CLJ"</span>
<a name="l00105"></a>00105 <span class="comment">// End:</span>
</pre></div></div>
<hr>
<address>
<small>
Generated at Wed Oct 14 14:12:09 2009 for <a
href="http://www.mpqc.org">MPQC</a>
2.3.1 using the documentation package <a
href="http://www.doxygen.org">Doxygen</a>
1.5.9.
</small>
</address>
</body>
</html>
distrib
>
Mandriva
>
2010.0
>
i586
>
media
>
contrib-release
>
by-pkgid
>
247b28499c443e092731ffba814075f2
>
files
>
1143
