potential.f90 File Reference

Defines a container for holding density dependent potentials. More...

Data Types
type	tblite_scf_potential::potential_type
	Container for density dependent potential-shifts. More...

Modules
module	tblite_scf_potential
	Implementation of the density dependent potential and its contribution to the effective Hamiltonian.

Functions/Subroutines
subroutine, public	tblite_scf_potential::new_potential (self, mol, bas, nspin, grad)
	Create a new potential object.
subroutine, public	tblite_scf_potential::add_pot_to_h1 (bas, ints, pot, h1)
	Add the collected potential shifts to the effective Hamiltonian.

Detailed Description

Defines a container for holding density dependent potentials.