thirdorder.f90 File Reference

Provides an onsite third-order electrostatic interaction. More...

Data Types
type	tblite_coulomb_thirdorder::onsite_thirdorder
	Onsite correction for third-order charge expansion. More...

Modules
module	tblite_coulomb_thirdorder
	Isotropic third-order onsite correction.

Functions/Subroutines
subroutine, public	tblite_coulomb_thirdorder::new_onsite_thirdorder (self, mol, hubbard_derivs, nshell)
	Create new onsite third-order contribution.

Variables
character(len= *), parameter	tblite_coulomb_thirdorder::label = "onsite third-order electrostatics"

Detailed Description

Provides an onsite third-order electrostatic interaction.