示例#1
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    //
    // Returns for radius "r" values of integrand for evaluation of terms of total energy
    //
    double FunEner::Get(double r) const
    {
        double v;

        assert(r > 0);
        switch (m_type)
        {
        case 0: v = GetTotal(r);	break;
        case 1: v = GetNucleus(r);	break;
        case 2: v = GetHartree(r);	break;
        case 3: v = GetExch(r);		break;
        case 4: v = GetCorr(r);		break;
        case 5: v = GetKinetic(r);	break;
        default: assert(0); v = 0;	break;
        }
        return v;
    }
示例#2
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 /// Covariance function with distance as input in 1D.
 double GetCov(double dx) const {return var_*GetCorr(dx);}
示例#3
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 /// Covariance function with distance as input in 2D.
 double GetCov(double dx, double dy) const { return var_ * GetCorr(dx, dy);}
示例#4
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 /// Correlation functions with points as input for 1D.
 double GetCorrpoint(double x1, double x2) const {return GetCorr(x2-x1);}
示例#5
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 /// Correlation functions with points as input for 2D.
 double GetCorrpoint(double x1, double y1, double x2, double y2) const {return GetCorr(x2-x1, y2-y1);}
示例#6
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 /// Covariance function with points as input in 1D.
 double GetCovpoint(double x1, double x2) const { return var_*GetCorr(x2-x1);}
示例#7
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 /// Covariance function with points as input in 3D.
 double GetCovpoint(double x1, double y1, double z1, double x2, double y2, double z2) const { return var_*GetCorr(x2-x1, y2-y1, z2-z1);}