tblite
Light-weight tight-binding framework
|
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. | |
Provides the analytical linearized Poission-Boltzmann model.