Public Member Functions
	ImplicitSolventRecipe (const ImplicitSolventKit< T > &isk, const NeckGeneralizedBornKit< T > &ngbk)
	The constructor takes two abstracts / kits, from the AtomGraph and from an instantiation of the "neck" GB coefficient tables struct. The results are combined into a single struct, which is essentially a combined abstract but called a "recipe" to denote its status as a fusion of multiple abstracts.

Public Attributes
const int	natom
	Number of atoms in the system.

const ImplicitSolventModel	igb

const int	table_size
	Size of the neck Generalized Born tables (if applicable)

const T	dielectric
	The dielectric constant to use in solvent screening.

const T	kappa
	Inverse of the Debye-Huckel length (based on the dielectic)

const T	gb_offset

const T	gb_neckscale
	Neck function scaling parameter for neck GB.

const T	gb_neckcut
	Cutoff for the "neck" GB function.

const int *	neck_gb_idx

const T *	pb_radii
	Poisson-Boltzmann (or Generalized Born) baseline radii.

const T *	gb_screen
	Generalized Born screening factors.

const T *	gb_alpha

const T *	gb_beta
	Generalized Born beta parameters.

const T *	gb_gamma
	Generalized Born gamma parameters.

const T *	neck_max_sep
	Neck GB maximum separations table.

const T *	neck_max_val
	Neck GB maximum values table.

Constructor & Destructor Documentation

◆ ImplicitSolventRecipe()

template<typename T>

stormm::energy::ImplicitSolventRecipe< T >::ImplicitSolventRecipe	(	const ImplicitSolventKit< T > &	isk,
		const NeckGeneralizedBornKit< T > &	ngbk )

explicit

The constructor takes two abstracts / kits, from the AtomGraph and from an instantiation of the "neck" GB coefficient tables struct. The results are combined into a single struct, which is essentially a combined abstract but called a "recipe" to denote its status as a fusion of multiple abstracts.

Parameters

isk	Implicit solvent details for the atoms of a specific system, obtained from an AtomGraph object (see Topology/atomgraph.h)
ngbk	Tables of constants for "neck" Generalized Born implementations–not needed for all GB but essential for a complete solution. Obtained from a NeckGeneralizedBornTable object (see Constants/generalized_born.h).