xc_vdw_oct_m::xc_vdw_t Type Reference

Detailed Description

Definition at line 149 of file xc_vdw.F90.

Public Attributes
integer, public	vdw_correction = -1
type(vdw_ts_t), public	vdw_ts
real(real64), dimension(:, :), allocatable, public	forces
real(real64), dimension(3, 3), public	stress

Private Member Functions
procedure	init => xc_vdw_init
procedure	calc => xc_vdw_calc
procedure	d3_version => xc_vdw_octopus_input_to_version
procedure	end => xc_vdw_end

Private Attributes
logical	self_consistent = .false.
type(dftd3_calc)	vdw_d3

Member Function/Subroutine Documentation

init()

procedure xc_vdw_oct_m::xc_vdw_t::init

private

Definition at line 160 of file xc_vdw.F90.

calc()

procedure xc_vdw_oct_m::xc_vdw_t::calc

private

Definition at line 161 of file xc_vdw.F90.

d3_version()

procedure xc_vdw_oct_m::xc_vdw_t::d3_version

private

Definition at line 162 of file xc_vdw.F90.

end()

procedure xc_vdw_oct_m::xc_vdw_t::end

private

Definition at line 163 of file xc_vdw.F90.

Member Data Documentation

vdw_correction

integer, public xc_vdw_oct_m::xc_vdw_t::vdw_correction = -1

Definition at line 151 of file xc_vdw.F90.

self_consistent

logical xc_vdw_oct_m::xc_vdw_t::self_consistent = .false.

private

Definition at line 152 of file xc_vdw.F90.

vdw_ts

type(vdw_ts_t), public xc_vdw_oct_m::xc_vdw_t::vdw_ts

Definition at line 153 of file xc_vdw.F90.

vdw_d3

type(dftd3_calc) xc_vdw_oct_m::xc_vdw_t::vdw_d3

private

Definition at line 154 of file xc_vdw.F90.

forces

real(real64), dimension(:, :), allocatable, public xc_vdw_oct_m::xc_vdw_t::forces

Definition at line 155 of file xc_vdw.F90.

stress

real(real64), dimension(3, 3), public xc_vdw_oct_m::xc_vdw_t::stress

Definition at line 157 of file xc_vdw.F90.

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

• xc/xc_vdw.F90