gamma.f90 File Reference

Provides the DFTB Coulomb functional for isotropic electrostatic interactions. More...

Data Types
type	tblite_coulomb_charge_gamma::gamma_coulomb
	DFTB Gamma functional second-order electrostatics. More...

Modules
module	tblite_coulomb_charge_gamma
	Isotropic second-order electrostatics using the DFTB Coulomb functional.

Functions/Subroutines
subroutine, public	tblite_coulomb_charge_gamma::new_gamma_coulomb (self, mol, hubbard, nshell)
	Construct new effective electrostatic interaction container.

Variables
real(wp), parameter	tblite_coulomb_charge_gamma::twopi = 2 * pi

Detailed Description

Provides the DFTB Coulomb functional for isotropic electrostatic interactions.