d3.f90 File Reference

Provides a proxy for the DFT-D3 dispersion correction More...

Data Types
type	tblite_disp_d3::d3_dispersion
	Container for DFT-D3 type dispersion correction. More...

Modules
module	tblite_disp_d3
	Semiclassical DFT-D3 dispersion correction.

Functions/Subroutines
subroutine, public	tblite_disp_d3::new_d3_dispersion (self, mol, s6, s8, a1, a2, s9)

Variables
character(len= *), parameter	tblite_disp_d3::label = "DFT-D3(BJ) dispersion correction"

Detailed Description

Provides a proxy for the DFT-D3 dispersion correction