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<hr><h1>obintv3.h</h1><div class="fragment"><pre>00001 <font class="comment">//</font>
00002 <font class="comment">// obintv3.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 <cljanss@limitpt.com></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">#ifndef _chemistry_qc_intv3_obintv3_h</font>
00029 <font class="preprocessor"></font><font class="preprocessor">#define _chemistry_qc_intv3_obintv3_h</font>
00030 <font class="preprocessor"></font>
00031 <font class="preprocessor">#include <chemistry/qc/basis/obint.h></font>
00032 <font class="preprocessor">#include <chemistry/qc/intv3/int1e.h></font>
00033
00034 <font class="keyword">namespace </font>sc {
00035
00036 <font class="comment">// /////////////////////////////////////////////////////////////////////////</font>
00037
<a name="l00041"></a><a class="code" href="class_sc__OneBodyIntV3.html">00041</a> <font class="keyword">class </font>OneBodyIntV3 : <font class="keyword">public</font> OneBodyInt {
00042 <font class="keyword">protected</font>:
00043 Ref<Int1eV3> int1ev3_;
00044 <font class="keyword">typedef</font> void (Int1eV3::*IntegralFunction)(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00045 IntegralFunction intfunc_;
00046 <font class="keyword">public</font>:
00047 OneBodyIntV3(Integral*,
00048 <font class="keyword">const</font> Ref<GaussianBasisSet>&, <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00049 IntegralFunction);
00050 ~OneBodyIntV3();
00051 <font class="keywordtype">void</font> <a class="code" href="class_sc__OneBodyIntV3.html#a2">compute_shell</a>(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00052 };
00053
00054 <font class="keyword">class </font>PointChargeIntV3 : <font class="keyword">public</font> OneBodyInt
00055 {
00056 <font class="keyword">protected</font>:
00057 Ref<Int1eV3> int1ev3_;
00058 Ref<PointChargeData> data_;
00059 <font class="keyword">public</font>:
00060 PointChargeIntV3(Integral*,
00061 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00062 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00063 <font class="keyword">const</font> Ref<PointChargeData>&);
00064 ~PointChargeIntV3();
00065 <font class="keywordtype">void</font> compute_shell(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00066 };
00067
00068 <font class="keyword">class </font>EfieldDotVectorIntV3: <font class="keyword">public</font> OneBodyInt
00069 {
00070 <font class="keyword">protected</font>:
00071 Ref<Int1eV3> int1ev3_;
00072 Ref<EfieldDotVectorData> data_;
00073 <font class="keyword">public</font>:
00074 EfieldDotVectorIntV3(Integral*,
00075 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00076 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00077 <font class="keyword">const</font> Ref<EfieldDotVectorData>&);
00078 ~EfieldDotVectorIntV3();
00079 <font class="keywordtype">void</font> compute_shell(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00080 };
00081
00082 <font class="keyword">class </font>DipoleIntV3: <font class="keyword">public</font> OneBodyInt
00083 {
00084 <font class="keyword">protected</font>:
00085 Ref<Int1eV3> int1ev3_;
00086 Ref<DipoleData> data_;
00087 <font class="keyword">public</font>:
00088 DipoleIntV3(Integral*,
00089 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00090 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00091 <font class="keyword">const</font> Ref<DipoleData>&);
00092 ~DipoleIntV3();
00093 <font class="keywordtype">void</font> compute_shell(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00094 };
00095
00096 <font class="comment">// /////////////////////////////////////////////////////////////////////////</font>
00097
<a name="l00101"></a><a class="code" href="class_sc__OneBodyDerivIntV3.html">00101</a> <font class="keyword">class </font>OneBodyDerivIntV3 : <font class="keyword">public</font> OneBodyDerivInt {
00102 <font class="keyword">protected</font>:
00103 Ref<Int1eV3> int1ev3_;
00104 <font class="keyword">typedef</font> void (Int1eV3::*IntegralFunction)(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>,<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00105 IntegralFunction intfunc_;
00106 <font class="keyword">public</font>:
00107 OneBodyDerivIntV3(Integral*,
00108 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00109 <font class="keyword">const</font> Ref<GaussianBasisSet>&,
00110 IntegralFunction);
00111 ~OneBodyDerivIntV3();
00112 <font class="keywordtype">void</font> compute_shell(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>,DerivCenters&);
00113 <font class="keywordtype">void</font> compute_shell(<font class="keywordtype">int</font>,<font class="keywordtype">int</font>,<font class="keywordtype">int</font>);
00114 };
00115
00116 }
00117
00118 <font class="preprocessor">#endif</font>
00119 <font class="preprocessor"></font>
00120 <font class="comment">// Local Variables:</font>
00121 <font class="comment">// mode: c++</font>
00122 <font class="comment">// c-file-style: "CLJ"</font>
00123 <font class="comment">// End:</font>
</div></pre><hr>
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