Constants

Global constants

NESSie.ε0 — Constant

Vacuum permittivity

Unit

$\frac{F}{m}$

System constants

NESSie.Option — Type

struct Option{T <: AbstractFloat}
    εΩ::T       # dielectric constant of the solute
    εΣ::T       # dielectric constant of the solvent
    ε∞::T       # large-scale (bulk) solvent response
    λ ::T       # correlation length scale [λ] = Å
end

System parameters

source

NESSie.defaultopt — Function

defaultopt(T::Type{Float64} = Float64)
defaultopt(T::Type{Float32})

Default system parameters

Return type

Option{T}

Default values

$ε_Ω = 2$
$ε_Σ = 78$
$ε_∞ = 1.8$
$λ = 20 Å$

source