ampsci
High-precision calculations for one- and two-valence atomic systems
DiracODE::Internal::Param Namespace Reference

Detailed Description

Parameters used for Adams-Moulton bound-state solver.

Variables

constexpr std::size_t K_Adams = 7
 K (# steps) for Adams-Moulton method (between 1 and 12).
 
constexpr double cALR = 550.0
 Parameter to determine 'asymptotically large r'.
 
constexpr int max_its = 99
 Max # attempts at converging bound-state energy.
 
constexpr double lfrac_de = 0.12
 Fractional size of 'large' energy update steps (~12%).
 
constexpr int d_ctp = 4
 Number of grid points either side of the classical turning point.
 
constexpr int nx = 15
 Order of coefficients in the large-r asymptotic expansion.
 
constexpr double nx_eps = 1.e-12
 Convergence threshold for the asymptotic expansion.
 
constexpr auto weight
 Weighting function for meshing inward/outward solutions at the turning point. Must be positive; index i may be negative [ctp - d_ctp].
 

Variable Documentation

◆ K_Adams

constexpr std::size_t DiracODE::Internal::Param::K_Adams = 7
constexpr

K (# steps) for Adams-Moulton method (between 1 and 12).

◆ cALR

constexpr double DiracODE::Internal::Param::cALR = 550.0
constexpr

Parameter to determine 'asymptotically large r'.

◆ max_its

constexpr int DiracODE::Internal::Param::max_its = 99
constexpr

Max # attempts at converging bound-state energy.

◆ lfrac_de

constexpr double DiracODE::Internal::Param::lfrac_de = 0.12
constexpr

Fractional size of 'large' energy update steps (~12%).

◆ d_ctp

constexpr int DiracODE::Internal::Param::d_ctp = 4
constexpr

Number of grid points either side of the classical turning point.

◆ nx

constexpr int DiracODE::Internal::Param::nx = 15
constexpr

Order of coefficients in the large-r asymptotic expansion.

◆ nx_eps

constexpr double DiracODE::Internal::Param::nx_eps = 1.e-12
constexpr

Convergence threshold for the asymptotic expansion.

◆ weight

constexpr auto DiracODE::Internal::Param::weight
constexpr
Initial value:
= [](std::size_t i) {
return 1.0 / static_cast<double>(i * i + 1);
}

Weighting function for meshing inward/outward solutions at the turning point. Must be positive; index i may be negative [ctp - d_ctp].