Container for density dependent potential-shifts. More...

Public Member Functions
procedure	reset (self)
	Reset the density dependent potential.

Data Fields
real(wp), dimension(:, :), allocatable	vat
	Atom-resolved charge-dependent potential shift.

real(wp), dimension(:, :), allocatable	vsh
	Shell-resolved charge-dependent potential shift.

real(wp), dimension(:, :), allocatable	vao
	Orbital-resolved charge-dependent potential shift.

real(wp), dimension(:, :, :), allocatable	vdp
	Atom-resolved dipolar potential.

real(wp), dimension(:, :, :), allocatable	vqp
	Atom-resolved quadrupolar potential.

Detailed Description

Container for density dependent potential-shifts.

Member Function/Subroutine Documentation

procedure tblite_scf_potential::potential_type::reset ( class(potential_type), intent(inout) self )

Reset the density dependent potential.

Parameters

[in,out] self Instance of the density dependent potential

The documentation for this type was generated from the following file: