// // 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; }
/// Covariance function with distance as input in 1D. double GetCov(double dx) const {return var_*GetCorr(dx);}
/// Covariance function with distance as input in 2D. double GetCov(double dx, double dy) const { return var_ * GetCorr(dx, dy);}
/// Correlation functions with points as input for 1D. double GetCorrpoint(double x1, double x2) const {return GetCorr(x2-x1);}
/// 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);}
/// Covariance function with points as input in 1D. double GetCovpoint(double x1, double x2) const { return var_*GetCorr(x2-x1);}
/// 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);}