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<h1>tchftmpl.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>LocalTCContribution {
<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> gmata;
<a name="l00007"></a>00007     <span class="keywordtype">double</span> * <span class="keyword">const</span> gmatb;
<a name="l00008"></a>00008     <span class="keywordtype">double</span> * <span class="keyword">const</span> kmata;
<a name="l00009"></a>00009     <span class="keywordtype">double</span> * <span class="keyword">const</span> kmatb;
<a name="l00010"></a>00010 
<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="keywordtype">double</span> * <span class="keyword">const</span> opmata;
<a name="l00014"></a>00014     <span class="keywordtype">double</span> * <span class="keyword">const</span> opmatb;
<a name="l00015"></a>00015   <span class="keyword">public</span>:
<a name="l00016"></a>00016     LocalTCContribution(<span class="keywordtype">double</span> *ga, <span class="keywordtype">double</span> *pa, <span class="keywordtype">double</span> *gb, <span class="keywordtype">double</span> *pb,
<a name="l00017"></a>00017                         <span class="keywordtype">double</span> *ka, <span class="keywordtype">double</span> *opa, <span class="keywordtype">double</span> *kb, <span class="keywordtype">double</span> *opb) :
<a name="l00018"></a>00018       gmata(ga), gmatb(gb), kmata(ka), kmatb(kb),
<a name="l00019"></a>00019       pmata(pa), pmatb(pb), opmata(opa), opmatb(opb) {}
<a name="l00020"></a>00020     ~LocalTCContribution() {}
<a name="l00021"></a>00021 
<a name="l00022"></a>00022     <span class="keywordtype">void</span> set_bound(<span class="keywordtype">double</span>,<span class="keywordtype">double</span>) {}
<a name="l00023"></a>00023 
<a name="l00024"></a>00024     <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="l00025"></a>00025       gmata[ij] += val*pmata[kl];
<a name="l00026"></a>00026       gmata[kl] += val*pmata[ij];
<a name="l00027"></a>00027 
<a name="l00028"></a>00028       gmatb[ij] += val*pmatb[kl];
<a name="l00029"></a>00029       gmatb[kl] += val*pmatb[ij];
<a name="l00030"></a>00030     }
<a name="l00031"></a>00031     
<a name="l00032"></a>00032     <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="l00033"></a>00033       val *= 0.25;
<a name="l00034"></a>00034       gmata[ij] -= val*pmata[kl];
<a name="l00035"></a>00035       gmata[kl] -= val*pmata[ij];
<a name="l00036"></a>00036 
<a name="l00037"></a>00037       gmatb[ij] -= val*pmatb[kl];
<a name="l00038"></a>00038       gmatb[kl] -= val*pmatb[ij];
<a name="l00039"></a>00039 
<a name="l00040"></a>00040       kmata[ij] += val*opmata[kl];
<a name="l00041"></a>00041       kmata[kl] += val*opmata[ij];
<a name="l00042"></a>00042 
<a name="l00043"></a>00043       kmatb[ij] += val*opmatb[kl];
<a name="l00044"></a>00044       kmatb[kl] += val*opmatb[ij];
<a name="l00045"></a>00045     }
<a name="l00046"></a>00046     
<a name="l00047"></a>00047     <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="l00048"></a>00048       val *= 0.5;
<a name="l00049"></a>00049       gmata[ij] -= val*pmata[kl];
<a name="l00050"></a>00050       gmata[kl] -= val*pmata[ij];
<a name="l00051"></a>00051 
<a name="l00052"></a>00052       gmatb[ij] -= val*pmatb[kl];
<a name="l00053"></a>00053       gmatb[kl] -= val*pmatb[ij];
<a name="l00054"></a>00054 
<a name="l00055"></a>00055       kmata[ij] += val*opmata[kl];
<a name="l00056"></a>00056       kmata[kl] += val*opmata[ij];
<a name="l00057"></a>00057 
<a name="l00058"></a>00058       kmatb[ij] += val*opmatb[kl];
<a name="l00059"></a>00059       kmatb[kl] += val*opmatb[ij];
<a name="l00060"></a>00060     }
<a name="l00061"></a>00061     
<a name="l00062"></a>00062     <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="l00063"></a>00063       gmata[ij] += 0.75*val*pmata[kl];
<a name="l00064"></a>00064       gmata[kl] += 0.75*val*pmata[ij];
<a name="l00065"></a>00065 
<a name="l00066"></a>00066       gmatb[ij] += 0.75*val*pmatb[kl];
<a name="l00067"></a>00067       gmatb[kl] += 0.75*val*pmatb[ij];
<a name="l00068"></a>00068 
<a name="l00069"></a>00069       kmata[ij] += 0.25*val*opmata[kl];
<a name="l00070"></a>00070       kmata[kl] += 0.25*val*opmata[ij];
<a name="l00071"></a>00071 
<a name="l00072"></a>00072       kmatb[ij] += 0.25*val*opmatb[kl];
<a name="l00073"></a>00073       kmatb[kl] += 0.25*val*opmatb[ij];
<a name="l00074"></a>00074     }
<a name="l00075"></a>00075     
<a name="l00076"></a>00076     <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="l00077"></a>00077       val *= 0.5;
<a name="l00078"></a>00078       gmata[ij] += val*pmata[kl];
<a name="l00079"></a>00079       gmata[kl] += val*pmata[ij];
<a name="l00080"></a>00080 
<a name="l00081"></a>00081       gmatb[ij] += val*pmatb[kl];
<a name="l00082"></a>00082       gmatb[kl] += val*pmatb[ij];
<a name="l00083"></a>00083 
<a name="l00084"></a>00084       kmata[ij] += val*opmata[kl];
<a name="l00085"></a>00085       kmata[kl] += val*opmata[ij];
<a name="l00086"></a>00086 
<a name="l00087"></a>00087       kmatb[ij] += val*opmatb[kl];
<a name="l00088"></a>00088       kmatb[kl] += val*opmatb[ij];
<a name="l00089"></a>00089     }
<a name="l00090"></a>00090 };
<a name="l00091"></a>00091 
<a name="l00092"></a>00092 <span class="keyword">class </span>LocalTCEnergyContribution {
<a name="l00093"></a>00093   <span class="keyword">private</span>:
<a name="l00094"></a>00094     <span class="keywordtype">double</span> * <span class="keyword">const</span> pmata;
<a name="l00095"></a>00095     <span class="keywordtype">double</span> * <span class="keyword">const</span> pmatb;
<a name="l00096"></a>00096     <span class="keywordtype">double</span> * <span class="keyword">const</span> opmata;
<a name="l00097"></a>00097     <span class="keywordtype">double</span> * <span class="keyword">const</span> opmatb;
<a name="l00098"></a>00098 
<a name="l00099"></a>00099   <span class="keyword">public</span>:
<a name="l00100"></a>00100     <span class="keywordtype">double</span> eca;
<a name="l00101"></a>00101     <span class="keywordtype">double</span> exa;
<a name="l00102"></a>00102     <span class="keywordtype">double</span> ecb;
<a name="l00103"></a>00103     <span class="keywordtype">double</span> exb;
<a name="l00104"></a>00104     <span class="keywordtype">double</span> ecab;
<a name="l00105"></a>00105     <span class="keywordtype">double</span> exab;
<a name="l00106"></a>00106     
<a name="l00107"></a>00107     LocalTCEnergyContribution(<span class="keywordtype">double</span> *pa, <span class="keywordtype">double</span> *pb, <span class="keywordtype">double</span> *opa, <span class="keywordtype">double</span> *opb) :
<a name="l00108"></a>00108       pmata(pa), pmatb(pb), opmata(opa), opmatb(opb) {
<a name="l00109"></a>00109       exa=eca=0;
<a name="l00110"></a>00110       exb=ecb=0;
<a name="l00111"></a>00111       exab=ecab=0;
<a name="l00112"></a>00112     }
<a name="l00113"></a>00113     ~LocalTCEnergyContribution() {}
<a name="l00114"></a>00114 
<a name="l00115"></a>00115     <span class="keywordtype">void</span> set_bound(<span class="keywordtype">double</span>,<span class="keywordtype">double</span>) {};
<a name="l00116"></a>00116 
<a name="l00117"></a>00117     <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="l00118"></a>00118       eca += val*pmata[ij]*pmata[kl];
<a name="l00119"></a>00119       ecb += val*pmatb[ij]*pmatb[kl];
<a name="l00120"></a>00120       ecab += val*(pmata[ij]*pmatb[kl]-pmatb[ij]*pmata[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       exa -= 0.25*val*pmata[ij]*pmata[kl];
<a name="l00125"></a>00125       exb -= 0.25*val*pmatb[ij]*pmatb[kl];
<a name="l00126"></a>00126       exab -= 0.25*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       exa -= 0.5*val*pmata[ij]*pmata[kl];
<a name="l00131"></a>00131       exb -= 0.5*val*pmatb[ij]*pmatb[kl];
<a name="l00132"></a>00132       exab -= 0.5*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       eca += val*pmata[ij]*pmata[kl];
<a name="l00137"></a>00137       ecb += val*pmatb[ij]*pmatb[kl];
<a name="l00138"></a>00138       ecab += val*(pmata[ij]*pmatb[kl]-pmatb[ij]*pmata[kl]);
<a name="l00139"></a>00139 
<a name="l00140"></a>00140       exa -= 0.25*val*pmata[ij]*pmata[kl];
<a name="l00141"></a>00141       exb -= 0.25*val*pmatb[ij]*pmatb[kl];
<a name="l00142"></a>00142       exab -= 0.25*val*(pmata[ij]*pmatb[kl]-pmatb[ij]*pmata[kl]);
<a name="l00143"></a>00143     }
<a name="l00144"></a>00144     
<a name="l00145"></a>00145     <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="l00146"></a>00146       eca += val*pmata[ij]*pmata[kl];
<a name="l00147"></a>00147       ecb += val*pmatb[ij]*pmatb[kl];
<a name="l00148"></a>00148       ecab += val*(pmata[ij]*pmatb[kl]-pmatb[ij]*pmata[kl]);
<a name="l00149"></a>00149 
<a name="l00150"></a>00150       exa -= 0.5*val*pmata[ij]*pmata[kl];
<a name="l00151"></a>00151       exb -= 0.5*val*pmatb[ij]*pmatb[kl];
<a name="l00152"></a>00152       exab -= 0.5*val*(pmata[ij]*pmatb[kl]-pmatb[ij]*pmata[kl]);
<a name="l00153"></a>00153     }
<a name="l00154"></a>00154 };
<a name="l00155"></a>00155 
<a name="l00156"></a>00156 <span class="keyword">class </span>LocalTCGradContribution {
<a name="l00157"></a>00157   <span class="keyword">private</span>:
<a name="l00158"></a>00158     <span class="keywordtype">double</span> * <span class="keyword">const</span> pmat;
<a name="l00159"></a>00159     <span class="keywordtype">double</span> * <span class="keyword">const</span> pmata;
<a name="l00160"></a>00160     <span class="keywordtype">double</span> * <span class="keyword">const</span> pmatb;
<a name="l00161"></a>00161     <span class="keywordtype">double</span> c1sq;
<a name="l00162"></a>00162     <span class="keywordtype">double</span> c2sq;
<a name="l00163"></a>00163     <span class="keywordtype">double</span> c1c2;
<a name="l00164"></a>00164 
<a name="l00165"></a>00165   <span class="keyword">public</span>:
<a name="l00166"></a>00166     LocalTCGradContribution(<span class="keywordtype">double</span> *p, <span class="keywordtype">double</span> *pa, <span class="keywordtype">double</span> *pb,
<a name="l00167"></a>00167                             <span class="keywordtype">double</span> c1, <span class="keywordtype">double</span> c2) :
<a name="l00168"></a>00168       pmat(p), pmata(pa), pmatb(pb)
<a name="l00169"></a>00169     {
<a name="l00170"></a>00170       c1sq = c1*c1;
<a name="l00171"></a>00171       c2sq = c2*c2;
<a name="l00172"></a>00172       c1c2 = c1*c2;
<a name="l00173"></a>00173     }
<a name="l00174"></a>00174     ~LocalTCGradContribution() {}
<a name="l00175"></a>00175 
<a name="l00176"></a>00176     <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="l00177"></a>00177       <span class="keywordflow">return</span> pmat[ij]*pmat[kl] +
<a name="l00178"></a>00178         c1sq*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl]) +
<a name="l00179"></a>00179         c2sq*(pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl]) +
<a name="l00180"></a>00180         0.5*c1sq*pmata[ij]*pmata[kl] +
<a name="l00181"></a>00181         0.5*c2sq*pmatb[ij]*pmatb[kl];
<a name="l00182"></a>00182     }
<a name="l00183"></a>00183 
<a name="l00184"></a>00184     <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="l00185"></a>00185       <span class="keywordflow">return</span> pmat[ij]*pmat[kl] +
<a name="l00186"></a>00186         c1sq*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl]) +
<a name="l00187"></a>00187         c2sq*(pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl]) -
<a name="l00188"></a>00188         c1c2*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
<a name="l00189"></a>00189     }
<a name="l00190"></a>00190 };
<a name="l00191"></a>00191 
<a name="l00192"></a>00192 }
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