osshftmpl.h Source File

00001 
00002 namespace sc {
00003 
00004 class LocalOSSContribution {
00005   private:
00006     double * const gmat;
00007     double * const gmata;
00008     double * const gmatb;
00009 
00010     double * const pmat;
00011     double * const pmata;
00012     double * const pmatb;
00013   public:
00014     LocalOSSContribution(double *g, double *p, double *ga, double *pa,
00015                          double *gb, double *pb) :
00016       gmat(g), gmata(ga), gmatb(gb), pmat(p), pmata(pa), pmatb(pb) {}
00017     ~LocalOSSContribution() {}
00018 
00019     void set_bound(double,double) {}
00020 
00021     inline void cont1(int ij, int kl, double val) {
00022       gmat[ij] += val*pmat[kl];
00023       gmat[kl] += val*pmat[ij];
00024     }
00025     
00026     inline void cont2(int ij, int kl, double val) {
00027       val *= 0.25;
00028       gmat[ij] -= val*pmat[kl];
00029       gmat[kl] -= val*pmat[ij];
00030 
00031       gmata[ij] += val*pmata[kl];
00032       gmata[kl] += val*pmata[ij];
00033 
00034       gmatb[ij] += val*pmatb[kl];
00035       gmatb[kl] += val*pmatb[ij];
00036 
00037       val *= -3.0;
00038       gmatb[ij] += val*pmata[kl];
00039       gmatb[kl] += val*pmata[ij];
00040 
00041       gmata[ij] += val*pmatb[kl];
00042       gmata[kl] += val*pmatb[ij];
00043     }
00044     
00045     inline void cont3(int ij, int kl, double val) {
00046       val *= 0.5;
00047       gmat[ij] -= val*pmat[kl];
00048       gmat[kl] -= val*pmat[ij];
00049 
00050       gmata[ij] += val*pmata[kl];
00051       gmata[kl] += val*pmata[ij];
00052 
00053       gmatb[ij] += val*pmatb[kl];
00054       gmatb[kl] += val*pmatb[ij];
00055 
00056       val *= -3.0;
00057       gmata[ij] += val*pmatb[kl];
00058       gmata[kl] += val*pmatb[ij];
00059 
00060       gmatb[ij] += val*pmata[kl];
00061       gmatb[kl] += val*pmata[ij];
00062     }
00063     
00064     inline void cont4(int ij, int kl, double val) {
00065       gmat[ij] += 0.75*val*pmat[kl];
00066       gmat[kl] += 0.75*val*pmat[ij];
00067 
00068       gmata[ij] += 0.25*val*pmata[kl];
00069       gmata[kl] += 0.25*val*pmata[ij];
00070 
00071       gmatb[ij] += 0.25*val*pmatb[kl];
00072       gmatb[kl] += 0.25*val*pmatb[ij];
00073 
00074       gmata[ij] -= 0.75*val*pmatb[kl];
00075       gmata[kl] -= 0.75*val*pmatb[ij];
00076 
00077       gmatb[ij] -= 0.75*val*pmata[kl];
00078       gmatb[kl] -= 0.75*val*pmata[ij];
00079     }
00080     
00081     inline void cont5(int ij, int kl, double val) {
00082       val *= 0.5;
00083       gmat[ij] += val*pmat[kl];
00084       gmat[kl] += val*pmat[ij];
00085 
00086       gmata[ij] += val*pmata[kl];
00087       gmata[kl] += val*pmata[ij];
00088 
00089       gmatb[ij] += val*pmatb[kl];
00090       gmatb[kl] += val*pmatb[ij];
00091 
00092       val *= -3.0;
00093       gmata[ij] += val*pmatb[kl];
00094       gmata[kl] += val*pmatb[ij];
00095 
00096       gmatb[ij] += val*pmata[kl];
00097       gmatb[kl] += val*pmata[ij];
00098     }
00099 };
00100 
00101 class LocalOSSEnergyContribution {
00102   private:
00103     double * const pmat;
00104     double * const pmata;
00105     double * const pmatb;
00106 
00107   public:
00108     double ec;
00109     double ex;
00110 
00111     void set_bound(double,double) {};
00112     
00113     LocalOSSEnergyContribution(double *p, double *pa, double *pb) :
00114       pmat(p), pmata(pa), pmatb(pb) {
00115       ec=ex=0;
00116     }
00117     ~LocalOSSEnergyContribution() {}
00118 
00119     inline void cont1(int ij, int kl, double val) {
00120       ec += val*pmat[ij]*pmat[kl];
00121     }
00122     
00123     inline void cont2(int ij, int kl, double val) {
00124       ex -= 0.25*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] +
00125                       pmatb[ij]*pmatb[kl]);
00126       ex += 0.75*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
00127     }
00128     
00129     inline void cont3(int ij, int kl, double val) {
00130       ex -= 0.5*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] +
00131                       pmatb[ij]*pmatb[kl]);
00132       ex += 1.5*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
00133     }
00134     
00135     inline void cont4(int ij, int kl, double val) {
00136       ec += val*pmat[ij]*pmat[kl];
00137       ex -= 0.25*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] +
00138                       pmatb[ij]*pmatb[kl]);
00139       ex += 0.75*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
00140     }
00141     
00142     inline void cont5(int ij, int kl, double val) {
00143       ec += val*pmat[ij]*pmat[kl];
00144       ex -= 0.5*val*(pmat[ij]*pmat[kl] + pmata[ij]*pmata[kl] +
00145                       pmatb[ij]*pmatb[kl]);
00146       ex += 1.5*val*(pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
00147     }
00148 };
00149 
00150 class LocalOSSGradContribution {
00151   private:
00152     double * const pmat;
00153     double * const pmata;
00154     double * const pmatb;
00155 
00156   public:
00157     LocalOSSGradContribution(double *p, double *pa, double *pb) :
00158       pmat(p), pmata(pa), pmatb(pb) {}
00159     ~LocalOSSGradContribution() {}
00160 
00161     inline double cont1(int ij, int kl) {
00162       return pmat[ij]*pmat[kl] +
00163         0.5*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl] +
00164              pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl]) +
00165         0.25*(pmata[ij]*pmata[kl] + pmatb[ij]*pmatb[kl] +
00166               pmata[ij]*pmatb[kl] + pmatb[ij]*pmata[kl]);
00167     }
00168 
00169     inline double cont2(int ij, int kl) {
00170       return pmat[ij]*pmat[kl] +
00171         0.5*(pmata[ij]*pmat[kl] + pmat[ij]*pmata[kl] +
00172              pmatb[ij]*pmat[kl] + pmat[ij]*pmatb[kl] +
00173              pmata[ij]*pmata[kl] + pmatb[ij]*pmatb[kl] -
00174              pmata[ij]*pmatb[kl] - pmatb[ij]*pmata[kl]);
00175     }
00176 };
00177 
00178 }
00179