Sophie: mpqc-2.1.2-4mdk ppc

mpqc-2.1.2-4mdk.ppc.rpm

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<hr><h1>build.h</h1><div class="fragment"><pre>00001 <font class="preprocessor">#ifdef __GNUG__</font>
00002 <font class="preprocessor"></font><font class="preprocessor">#pragma interface</font>
00003 <font class="preprocessor"></font><font class="preprocessor">#endif</font>
00004 <font class="preprocessor"></font>
00005 <font class="preprocessor">#ifndef _chemistry_qc_oint3_build_h</font>
00006 <font class="preprocessor"></font><font class="preprocessor">#define _chemistry_qc_oint3_build_h</font>
00007 <font class="preprocessor"></font>
00008 <font class="preprocessor">#include &lt;chemistry/qc/intv3/array.h&gt;</font>
00009 
00010 <font class="keyword">namespace </font>sc {
00011 
00012 <font class="preprocessor">#define MG 3</font>
00013 <font class="preprocessor"></font>
00014 <font class="preprocessor">#define DECLARE_BUILD(ii,j,k,l) \</font>
00015 <font class="preprocessor">  int i ## ii ## j ## k ## l ();\</font>
00016 <font class="preprocessor">  int i ## ii ## j ## k ## l ## eAB ()</font>
00017 <font class="preprocessor"></font>
00018 <font class="keyword">class </font>BuildIntV3 {
00019   <font class="keyword">public</font>:
00020     <font class="keywordtype">double</font> int_v_ooze;
00021     <font class="keywordtype">double</font> int_v_zeta12;
00022     <font class="keywordtype">double</font> int_v_zeta34;
00023     <font class="keywordtype">double</font> int_v_oo2zeta12;
00024     <font class="keywordtype">double</font> int_v_oo2zeta34;
00025     <font class="keywordtype">double</font> int_v_W0;
00026     <font class="keywordtype">double</font> int_v_W1;
00027     <font class="keywordtype">double</font> int_v_W2;
00028     <font class="keywordtype">double</font> int_v_p120;
00029     <font class="keywordtype">double</font> int_v_p121;
00030     <font class="keywordtype">double</font> int_v_p122;
00031     <font class="keywordtype">double</font> int_v_p340;
00032     <font class="keywordtype">double</font> int_v_p341;
00033     <font class="keywordtype">double</font> int_v_p342;
00034     <font class="keywordtype">double</font> int_v_r10;
00035     <font class="keywordtype">double</font> int_v_r11;
00036     <font class="keywordtype">double</font> int_v_r12;
00037     <font class="keywordtype">double</font> int_v_r20;
00038     <font class="keywordtype">double</font> int_v_r21;
00039     <font class="keywordtype">double</font> int_v_r22;
00040     <font class="keywordtype">double</font> int_v_r30;
00041     <font class="keywordtype">double</font> int_v_r31;
00042     <font class="keywordtype">double</font> int_v_r32;
00043     <font class="keywordtype">double</font> int_v_r40;
00044     <font class="keywordtype">double</font> int_v_r41;
00045     <font class="keywordtype">double</font> int_v_r42;
00046     <font class="keywordtype">double</font> int_v_k12;
00047     <font class="keywordtype">double</font> int_v_k34;
00048     IntV3Arraydoublep3 int_v_list;
00049   <font class="keyword">public</font>:
00050     BuildIntV3();
00051     ~BuildIntV3();
00052 
00053     <font class="keywordtype">int</font> impossible_integral();
00054 
00055 <font class="preprocessor">#if (MG == 1) || (MG == 2) || (MG == 3) || (MG == 4)</font>
00056 <font class="preprocessor"></font>    DECLARE_BUILD(0,1,0,0);
00057     DECLARE_BUILD(0,1,0,1);
00058     DECLARE_BUILD(0,1,1,1);
00059     DECLARE_BUILD(1,1,0,0);
00060     DECLARE_BUILD(1,1,1,1);
00061 <font class="preprocessor">#endif</font>
00062 <font class="preprocessor"></font>
00063 <font class="preprocessor">#if (MG == 2) || (MG == 3) || (MG == 4)</font>
00064 <font class="preprocessor"></font>    DECLARE_BUILD(0,2,0,0);
00065     DECLARE_BUILD(0,2,0,1);
00066     DECLARE_BUILD(0,2,0,2);
00067     DECLARE_BUILD(0,2,1,1);
00068     DECLARE_BUILD(0,2,1,2);
00069     DECLARE_BUILD(0,2,2,2);
00070     DECLARE_BUILD(1,2,0,0);
00071     DECLARE_BUILD(1,2,0,1);
00072     DECLARE_BUILD(1,2,1,1);
00073     DECLARE_BUILD(1,2,1,2);
00074     DECLARE_BUILD(1,2,2,2);
00075     DECLARE_BUILD(2,2,0,0);
00076     DECLARE_BUILD(2,2,0,1);
00077     DECLARE_BUILD(2,2,1,1);
00078     DECLARE_BUILD(2,2,2,2);
00079 <font class="preprocessor">#endif</font>
00080 <font class="preprocessor"></font>
00081 <font class="preprocessor">#if (MG == 3) || (MG == 4)</font>
00082 <font class="preprocessor"></font>    DECLARE_BUILD(0,3,0,0);
00083     DECLARE_BUILD(0,3,0,1);
00084     DECLARE_BUILD(0,3,0,2);
00085     DECLARE_BUILD(0,3,0,3);
00086     DECLARE_BUILD(0,3,1,1);
00087     DECLARE_BUILD(0,3,1,2);
00088     DECLARE_BUILD(0,3,1,3);
00089     DECLARE_BUILD(0,3,2,2);
00090     DECLARE_BUILD(0,3,2,3);
00091     DECLARE_BUILD(0,3,3,3);
00092     DECLARE_BUILD(1,3,0,0);
00093     DECLARE_BUILD(1,3,0,1);
00094     DECLARE_BUILD(1,3,0,2);
00095     DECLARE_BUILD(1,3,1,1);
00096     DECLARE_BUILD(1,3,1,2);
00097     DECLARE_BUILD(1,3,1,3);
00098     DECLARE_BUILD(1,3,2,2);
00099     DECLARE_BUILD(1,3,2,3);
00100     DECLARE_BUILD(1,3,3,3);
00101     DECLARE_BUILD(2,3,0,0);
00102     DECLARE_BUILD(2,3,0,1);
00103     DECLARE_BUILD(2,3,0,2);
00104     DECLARE_BUILD(2,3,1,1);
00105     DECLARE_BUILD(2,3,1,2);
00106     DECLARE_BUILD(2,3,2,2);
00107     DECLARE_BUILD(2,3,2,3);
00108     DECLARE_BUILD(2,3,3,3);
00109     DECLARE_BUILD(3,3,0,0);
00110     DECLARE_BUILD(3,3,0,1);
00111     DECLARE_BUILD(3,3,0,2);
00112     DECLARE_BUILD(3,3,1,1);
00113     DECLARE_BUILD(3,3,1,2);
00114     DECLARE_BUILD(3,3,2,2);
00115     DECLARE_BUILD(3,3,3,3);
00116 <font class="preprocessor">#endif</font>
00117 <font class="preprocessor"></font>};
00118 
00119 }
00120 
00121 <font class="preprocessor">#endif</font>
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