d4.f90 File Reference

Provides a proxy for the DFT-D4 dispersion correction More...

Data Types
type	tblite_disp_d4::d4_dispersion
	Container for self-consistent D4 dispersion interactions. More...

Modules
module	tblite_disp_d4
	Generally applicable charge-dependent London-dispersion correction, DFT-D4.

Functions/Subroutines
subroutine, public	tblite_disp_d4::new_d4_dispersion (self, mol, s6, s8, a1, a2, s9, error)
	Create a new instance of a self-consistent D4 dispersion correction.
subroutine, public	tblite_disp_d4::new_d4s_dispersion (self, mol, s6, s8, a1, a2, s9, error)
	Create a new instance of a self-consistent D4S dispersion correction.

Variables
character(len= *), parameter	tblite_disp_d4::label_d4 = "self-consistent DFT-D4 dispersion"

Detailed Description

Provides a proxy for the DFT-D4 dispersion correction