<!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: osshftmpl.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>osshftmpl.h</h1><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <a name="l00002"></a>00002 <span class="keyword">namespace </span>sc { <a name="l00003"></a>00003 <a name="l00004"></a>00004 <span class="keyword">class </span>LocalOSSContribution { <a name="l00005"></a>00005 <span class="keyword">private</span>: <a name="l00006"></a>00006 <span class="keywordtype">double</span> * <span class="keyword">const</span> gmat; <a name="l00007"></a>00007 <span class="keywordtype">double</span> * <span class="keyword">const</span> gmata; <a name="l00008"></a>00008 <span class="keywordtype">double</span> * <span class="keyword">const</span> gmatb; <a name="l00009"></a>00009 <a name="l00010"></a>00010 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmat; <a name="l00011"></a>00011 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmata; <a name="l00012"></a>00012 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmatb; <a name="l00013"></a>00013 <span class="keyword">public</span>: <a name="l00014"></a>00014 LocalOSSContribution(<span class="keywordtype">double</span> *g, <span class="keywordtype">double</span> *p, <span class="keywordtype">double</span> *ga, <span class="keywordtype">double</span> *pa, <a name="l00015"></a>00015 <span class="keywordtype">double</span> *gb, <span class="keywordtype">double</span> *pb) : <a name="l00016"></a>00016 gmat(g), gmata(ga), gmatb(gb), pmat(p), pmata(pa), pmatb(pb) {} <a name="l00017"></a>00017 ~LocalOSSContribution() {} <a name="l00018"></a>00018 <a name="l00019"></a>00019 <span class="keywordtype">void</span> set_bound(<span class="keywordtype">double</span>,<span class="keywordtype">double</span>) {} <a name="l00020"></a>00020 <a name="l00021"></a>00021 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont1(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00022"></a>00022 gmat[ij] += val*pmat[kl]; <a name="l00023"></a>00023 gmat[kl] += val*pmat[ij]; <a name="l00024"></a>00024 } <a name="l00025"></a>00025 <a name="l00026"></a>00026 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont2(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00027"></a>00027 val *= 0.25; <a name="l00028"></a>00028 gmat[ij] -= val*pmat[kl]; <a name="l00029"></a>00029 gmat[kl] -= val*pmat[ij]; <a name="l00030"></a>00030 <a name="l00031"></a>00031 gmata[ij] += val*pmata[kl]; <a name="l00032"></a>00032 gmata[kl] += val*pmata[ij]; <a name="l00033"></a>00033 <a name="l00034"></a>00034 gmatb[ij] += val*pmatb[kl]; <a name="l00035"></a>00035 gmatb[kl] += val*pmatb[ij]; <a name="l00036"></a>00036 <a name="l00037"></a>00037 val *= -3.0; <a name="l00038"></a>00038 gmatb[ij] += val*pmata[kl]; <a name="l00039"></a>00039 gmatb[kl] += val*pmata[ij]; <a name="l00040"></a>00040 <a name="l00041"></a>00041 gmata[ij] += val*pmatb[kl]; <a name="l00042"></a>00042 gmata[kl] += val*pmatb[ij]; <a name="l00043"></a>00043 } <a name="l00044"></a>00044 <a name="l00045"></a>00045 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont3(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00046"></a>00046 val *= 0.5; <a name="l00047"></a>00047 gmat[ij] -= val*pmat[kl]; <a name="l00048"></a>00048 gmat[kl] -= val*pmat[ij]; <a name="l00049"></a>00049 <a name="l00050"></a>00050 gmata[ij] += val*pmata[kl]; <a name="l00051"></a>00051 gmata[kl] += val*pmata[ij]; <a name="l00052"></a>00052 <a name="l00053"></a>00053 gmatb[ij] += val*pmatb[kl]; <a name="l00054"></a>00054 gmatb[kl] += val*pmatb[ij]; <a name="l00055"></a>00055 <a name="l00056"></a>00056 val *= -3.0; <a name="l00057"></a>00057 gmata[ij] += val*pmatb[kl]; <a name="l00058"></a>00058 gmata[kl] += val*pmatb[ij]; <a name="l00059"></a>00059 <a name="l00060"></a>00060 gmatb[ij] += val*pmata[kl]; <a name="l00061"></a>00061 gmatb[kl] += val*pmata[ij]; <a name="l00062"></a>00062 } <a name="l00063"></a>00063 <a name="l00064"></a>00064 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont4(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00065"></a>00065 gmat[ij] += 0.75*val*pmat[kl]; <a name="l00066"></a>00066 gmat[kl] += 0.75*val*pmat[ij]; <a name="l00067"></a>00067 <a name="l00068"></a>00068 gmata[ij] += 0.25*val*pmata[kl]; <a name="l00069"></a>00069 gmata[kl] += 0.25*val*pmata[ij]; <a name="l00070"></a>00070 <a name="l00071"></a>00071 gmatb[ij] += 0.25*val*pmatb[kl]; <a name="l00072"></a>00072 gmatb[kl] += 0.25*val*pmatb[ij]; <a name="l00073"></a>00073 <a name="l00074"></a>00074 gmata[ij] -= 0.75*val*pmatb[kl]; <a name="l00075"></a>00075 gmata[kl] -= 0.75*val*pmatb[ij]; <a name="l00076"></a>00076 <a name="l00077"></a>00077 gmatb[ij] -= 0.75*val*pmata[kl]; <a name="l00078"></a>00078 gmatb[kl] -= 0.75*val*pmata[ij]; <a name="l00079"></a>00079 } <a name="l00080"></a>00080 <a name="l00081"></a>00081 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont5(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00082"></a>00082 val *= 0.5; <a name="l00083"></a>00083 gmat[ij] += val*pmat[kl]; <a name="l00084"></a>00084 gmat[kl] += val*pmat[ij]; <a name="l00085"></a>00085 <a name="l00086"></a>00086 gmata[ij] += val*pmata[kl]; <a name="l00087"></a>00087 gmata[kl] += val*pmata[ij]; <a name="l00088"></a>00088 <a name="l00089"></a>00089 gmatb[ij] += val*pmatb[kl]; <a name="l00090"></a>00090 gmatb[kl] += val*pmatb[ij]; <a name="l00091"></a>00091 <a name="l00092"></a>00092 val *= -3.0; <a name="l00093"></a>00093 gmata[ij] += val*pmatb[kl]; <a name="l00094"></a>00094 gmata[kl] += val*pmatb[ij]; <a name="l00095"></a>00095 <a name="l00096"></a>00096 gmatb[ij] += val*pmata[kl]; <a name="l00097"></a>00097 gmatb[kl] += val*pmata[ij]; <a name="l00098"></a>00098 } <a name="l00099"></a>00099 }; <a name="l00100"></a>00100 <a name="l00101"></a>00101 <span class="keyword">class </span>LocalOSSEnergyContribution { <a name="l00102"></a>00102 <span class="keyword">private</span>: <a name="l00103"></a>00103 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmat; <a name="l00104"></a>00104 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmata; <a name="l00105"></a>00105 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmatb; <a name="l00106"></a>00106 <a name="l00107"></a>00107 <span class="keyword">public</span>: <a name="l00108"></a>00108 <span class="keywordtype">double</span> ec; <a name="l00109"></a>00109 <span class="keywordtype">double</span> ex; <a name="l00110"></a>00110 <a name="l00111"></a>00111 <span class="keywordtype">void</span> set_bound(<span class="keywordtype">double</span>,<span class="keywordtype">double</span>) {}; <a name="l00112"></a>00112 <a name="l00113"></a>00113 LocalOSSEnergyContribution(<span class="keywordtype">double</span> *p, <span class="keywordtype">double</span> *pa, <span class="keywordtype">double</span> *pb) : <a name="l00114"></a>00114 pmat(p), pmata(pa), pmatb(pb) { <a name="l00115"></a>00115 ec=ex=0; <a name="l00116"></a>00116 } <a name="l00117"></a>00117 ~LocalOSSEnergyContribution() {} <a name="l00118"></a>00118 <a name="l00119"></a>00119 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont1(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00120"></a>00120 ec += val*pmat[ij]*pmat[kl]; <a name="l00121"></a>00121 } <a name="l00122"></a>00122 <a name="l00123"></a>00123 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont2(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00124"></a>00124 ex -= 0.25*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] + <a name="l00125"></a>00125 pmatb[ij]*pmatb[kl]); <a name="l00126"></a>00126 ex += 0.75*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]); <a name="l00127"></a>00127 } <a name="l00128"></a>00128 <a name="l00129"></a>00129 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont3(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00130"></a>00130 ex -= 0.5*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] + <a name="l00131"></a>00131 pmatb[ij]*pmatb[kl]); <a name="l00132"></a>00132 ex += 1.5*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]); <a name="l00133"></a>00133 } <a name="l00134"></a>00134 <a name="l00135"></a>00135 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont4(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00136"></a>00136 ec += val*pmat[ij]*pmat[kl]; <a name="l00137"></a>00137 ex -= 0.25*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] + <a name="l00138"></a>00138 pmatb[ij]*pmatb[kl]); <a name="l00139"></a>00139 ex += 0.75*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]); <a name="l00140"></a>00140 } <a name="l00141"></a>00141 <a name="l00142"></a>00142 <span class="keyword">inline</span> <span class="keywordtype">void</span> cont5(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl, <span class="keywordtype">double</span> val) { <a name="l00143"></a>00143 ec += val*pmat[ij]*pmat[kl]; <a name="l00144"></a>00144 ex -= 0.5*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] + <a name="l00145"></a>00145 pmatb[ij]*pmatb[kl]); <a name="l00146"></a>00146 ex += 1.5*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]); <a name="l00147"></a>00147 } <a name="l00148"></a>00148 }; <a name="l00149"></a>00149 <a name="l00150"></a>00150 <span class="keyword">class </span>LocalOSSGradContribution { <a name="l00151"></a>00151 <span class="keyword">private</span>: <a name="l00152"></a>00152 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmat; <a name="l00153"></a>00153 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmata; <a name="l00154"></a>00154 <span class="keywordtype">double</span> * <span class="keyword">const</span> pmatb; <a name="l00155"></a>00155 <a name="l00156"></a>00156 <span class="keyword">public</span>: <a name="l00157"></a>00157 LocalOSSGradContribution(<span class="keywordtype">double</span> *p, <span class="keywordtype">double</span> *pa, <span class="keywordtype">double</span> *pb) : <a name="l00158"></a>00158 pmat(p), pmata(pa), pmatb(pb) {} <a name="l00159"></a>00159 ~LocalOSSGradContribution() {} <a name="l00160"></a>00160 <a name="l00161"></a>00161 <span class="keyword">inline</span> <span class="keywordtype">double</span> cont1(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl) { <a name="l00162"></a>00162 <span class="keywordflow">return</span> pmat[ij]*pmat[kl] + <a name="l00163"></a>00163 0.5*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl] + <a name="l00164"></a>00164 pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl]) + <a name="l00165"></a>00165 0.25*(pmata[ij]*pmata[kl] + pmatb[ij]*pmatb[kl] + <a name="l00166"></a>00166 pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]); <a name="l00167"></a>00167 } <a name="l00168"></a>00168 <a name="l00169"></a>00169 <span class="keyword">inline</span> <span class="keywordtype">double</span> cont2(<span class="keywordtype">int</span> ij, <span class="keywordtype">int</span> kl) { <a name="l00170"></a>00170 <span class="keywordflow">return</span> pmat[ij]*pmat[kl] + <a name="l00171"></a>00171 0.5*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl] + <a name="l00172"></a>00172 pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl] + <a name="l00173"></a>00173 pmata[ij]*pmata[kl] + pmatb[ij]*pmatb[kl] - <a name="l00174"></a>00174 pmata[ij]*pmatb[kl] - pmatb[ij]*pmata[kl]); <a name="l00175"></a>00175 } <a name="l00176"></a>00176 }; <a name="l00177"></a>00177 <a name="l00178"></a>00178 } <a name="l00179"></a>00179 </pre></div></div> <hr> <address> <small> Generated at Wed Oct 14 14:12:10 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>