cds.f90 File Reference

Provides non-polar contributions to the solvation free energy. More...

Data Types
type	tblite_solvation_cds::cds_input
	Input for CDS model. More...
type	tblite_solvation_cds::cds_solvation
	Definition of the CDS model. More...

Modules
module	tblite_solvation_cds
	Cavity, dispersion and surface contribution to the solvation free energy.

Functions/Subroutines
subroutine, public	tblite_solvation_cds::new_cds (self, mol, input, method)
	Create new CDS solvation model.

Variables
character(len= *), parameter	tblite_solvation_cds::label = "cds contribution to solvation"
	Identifier for container.

Detailed Description

Provides non-polar contributions to the solvation free energy.