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<hr><h1>tformv3.h</h1><div class="fragment"><pre>00001 <font class="comment">//</font>
00002 <font class="comment">// tformv3.h</font>
00003 <font class="comment">//</font>
00004 <font class="comment">// Copyright (C) 1996 Limit Point Systems, Inc.</font>
00005 <font class="comment">//</font>
00006 <font class="comment">// Author: Curtis Janssen &lt;cljanss@limitpt.com&gt;</font>
00007 <font class="comment">// Maintainer: LPS</font>
00008 <font class="comment">//</font>
00009 <font class="comment">// This file is part of the SC Toolkit.</font>
00010 <font class="comment">//</font>
00011 <font class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</font>
00012 <font class="comment">// it under the terms of the GNU Library General Public License as published by</font>
00013 <font class="comment">// the Free Software Foundation; either version 2, or (at your option)</font>
00014 <font class="comment">// any later version.</font>
00015 <font class="comment">//</font>
00016 <font class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</font>
00017 <font class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</font>
00018 <font class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the</font>
00019 <font class="comment">// GNU Library General Public License for more details.</font>
00020 <font class="comment">//</font>
00021 <font class="comment">// You should have received a copy of the GNU Library General Public License</font>
00022 <font class="comment">// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to</font>
00023 <font class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</font>
00024 <font class="comment">//</font>
00025 <font class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</font>
00026 <font class="comment">//</font>
00027 
00028 <font class="preprocessor">#if defined(__GNUC__)</font>
00029 <font class="preprocessor"></font><font class="preprocessor">#pragma interface</font>
00030 <font class="preprocessor"></font><font class="preprocessor">#endif</font>
00031 <font class="preprocessor"></font>
00032 <font class="preprocessor">#ifndef _chemistry_qc_intv3_tranform_h</font>
00033 <font class="preprocessor"></font><font class="preprocessor">#define _chemistry_qc_intv3_tranform_h</font>
00034 <font class="preprocessor"></font>
00035 <font class="preprocessor">#include &lt;chemistry/qc/basis/gaussshell.h&gt;</font>
00036 <font class="preprocessor">#include &lt;chemistry/qc/basis/transform.h&gt;</font>
00037 <font class="preprocessor">#include &lt;chemistry/qc/intv3/macros.h&gt;</font>
00038 <font class="preprocessor">#include &lt;chemistry/qc/intv3/int1e.h&gt;</font>
00039 <font class="preprocessor">#include &lt;chemistry/qc/intv3/int2e.h&gt;</font>
00040 
00041 <font class="keyword">namespace </font>sc {
00042 
00043 <font class="keyword">class </font>Integral;
00044 
00045 <font class="keyword">class </font>SphericalTransformComponentV3 : <font class="keyword">public</font> SphericalTransformComponent {
00046   <font class="keyword">public</font>:
00047     <font class="keywordtype">void</font> init(<font class="keywordtype">int</font> a, <font class="keywordtype">int</font> b, <font class="keywordtype">int</font> c, <font class="keywordtype">double</font> coef, <font class="keywordtype">int</font> pureindex)<font class="keyword"> </font>{
00048       a_ = a;
00049       b_ = b;
00050       c_ = c;
00051       coef_ = coef;
00052       pureindex_ = pureindex;
00053       cartindex_ = INT_CARTINDEX(a+b+c,a,b);
00054     }
00055 };
00056 
00057 <font class="keyword">class </font>SphericalTransformV3 : <font class="keyword">public</font> SphericalTransform {
00058   <font class="keyword">public</font>:
00059     SphericalTransformV3(<font class="keywordtype">int</font> l, <font class="keywordtype">int</font> subl=-1):SphericalTransform(l,subl) {
00060       init();
00061     }
00062 
00063     SphericalTransformComponent * new_components()<font class="keyword"> </font>{
00064       <font class="keywordflow">return</font> <font class="keyword">new</font> SphericalTransformComponentV3[n_+1];
00065     }
00066 };
00067 
00068 <font class="keyword">class </font>ISphericalTransformV3 : <font class="keyword">public</font> ISphericalTransform {
00069   <font class="keyword">public</font>:
00070     ISphericalTransformV3(<font class="keywordtype">int</font> l, <font class="keywordtype">int</font> subl=-1):ISphericalTransform(l,subl) {
00071       init();
00072     }
00073 
00074     SphericalTransformComponent * new_components()<font class="keyword"> </font>{
00075       <font class="keywordflow">return</font> <font class="keyword">new</font> SphericalTransformComponentV3[n_+1];
00076     }
00077 };
00078 
00079 }
00080 
00081 <font class="preprocessor">#endif</font>
00082 <font class="preprocessor"></font>
00083 <font class="comment">// Local Variables:</font>
00084 <font class="comment">// mode: c++</font>
00085 <font class="comment">// c-file-style: "CLJ"</font>
00086 <font class="comment">// End:</font>
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