tblite
Light-weight tight-binding framework
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alpb.f90 File Reference

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

Data Types

type  tblite_solvation_alpb::alpb_input
 Input for ALPB solvation. More...
 
type  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.