Detailed Description

Definition at line 165 of file allelectron.F90.

Inheritance diagram for allelectron_oct_m::soft_coulomb_t:

Private Member Functions
procedure	get_softening2 => soft_coulomb_softening2
	Get the square of the softening parameter a. More...

procedure	set_softening2 => soft_coulomb_set_softening2
	Set the square of the softening parameter a. More...

Private Attributes
real(real64)	softening2
	the square of the soft-Coulomb parameter (a2 = a^2) More...

Additional Inherited Members
Public Attributes inherited from allelectron_oct_m::allelectron_t
type(valconf_t), public	conf
	Needed for the occupations. More...

Public Attributes inherited from species_oct_m::species_t
logical, public	has_density
	true if the species has an electronic density More...

integer, public	niwfs
	The number of initial wavefunctions. More...

integer, dimension(:, :), allocatable, public	iwf_l

integer, dimension(:, :), allocatable, public	iwf_m

integer, dimension(:, :), allocatable, public	iwf_i

integer, dimension(:, :), allocatable, public	iwf_n
	i, n, l, m as a function of iorb and ispin More...

real(real64), dimension(:), allocatable, public	iwf_j
	j as a function of iorb More...

Member Function/Subroutine Documentation

procedure allelectron_oct_m::soft_coulomb_t::get_softening2

private

Get the square of the softening parameter a.

Definition at line 171 of file allelectron.F90.

procedure allelectron_oct_m::soft_coulomb_t::set_softening2

private

Set the square of the softening parameter a.

Definition at line 172 of file allelectron.F90.

real(real64) allelectron_oct_m::soft_coulomb_t::softening2

private

the square of the soft-Coulomb parameter (a2 = a^2)

Definition at line 168 of file allelectron.F90.

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