alpb.f90 File Reference

Provides the analytical linearized Poission-Boltzmann model. More...

Data Types
interface	tblite_solvation_alpb::alpb_input
	Input for ALPB solvation. More...
interface	tblite_solvation_alpb::alpb_solvation
	Definition of ALPB/GBSA model. More...

Modules
module	tblite_solvation_alpb
	Analytical linearized Poisson-Boltzmann implicit solvation model.

Functions/Subroutines
subroutine, public	tblite_solvation_alpb::new_alpb (self, mol, input, method)
	Create new ALPB solvation model.

Variables
type(enum_born_kernel), parameter, public	tblite_solvation_alpb::born_kernel = enum_born_kernel()
	Actual enumerator for the generalized Born kernels.
character(len= *), parameter	tblite_solvation_alpb::label = "alpb/gbsa reaction field model"
	Identifier for container.

Detailed Description

Provides the analytical linearized Poission-Boltzmann model.