perturbation_ionic_oct_m::perturbation_ionic_t Interface Reference

Detailed Description

Definition at line 153 of file perturbation_ionic.F90.

Inheritance diagram for perturbation_ionic_oct_m::perturbation_ionic_t:

Private Member Functions
procedure	copy_to => perturbation_ionic_copy
generic	assignment => copy_to
procedure	info => perturbation_ionic_info
procedure	dapply => dperturbation_ionic_apply
procedure	zapply => zperturbation_ionic_apply
procedure	dapply_order_2 => dperturbation_ionic_apply_order_2
procedure	zapply_order_2 => zperturbation_ionic_apply_order_2
procedure	setup_dir => perturbation_ionic_setup_dir
procedure	setup_atom => perturbation_ionic_setup_atom
procedure	setup_mix_dir => perturbation_ionic_setup_mixed_dir
final	perturbation_ionic_finalize

Private Attributes
type(ions_t), pointer	ions => null()
logical	pure_dir
	if pure_dir is .false. then the perturbation is a combination of displacements of atoms. If pure_dir is .true., next mix1 and mix2 arrays are allocated If pure_dir is .false., atom, dir, atom2 and dir2 are used More...
integer	atom1
integer	atom2
real(real64), dimension(:,:), allocatable	mix1
	mix1(natoms, ndim) More...
real(real64), dimension(:,:), allocatable	mix2

Member Function/Subroutine Documentation

copy_to()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::copy_to

private

Definition at line 168 of file perturbation_ionic.F90.

assignment()

generic perturbation_ionic_oct_m::perturbation_ionic_t::assignment

private

Definition at line 169 of file perturbation_ionic.F90.

info()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::info

private

Definition at line 170 of file perturbation_ionic.F90.

dapply()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::dapply

private

Definition at line 171 of file perturbation_ionic.F90.

zapply()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::zapply

private

Definition at line 172 of file perturbation_ionic.F90.

dapply_order_2()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::dapply_order_2

private

Definition at line 173 of file perturbation_ionic.F90.

zapply_order_2()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::zapply_order_2

private

Definition at line 174 of file perturbation_ionic.F90.

setup_dir()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::setup_dir

private

Definition at line 175 of file perturbation_ionic.F90.

setup_atom()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::setup_atom

private

Definition at line 176 of file perturbation_ionic.F90.

setup_mix_dir()

procedure perturbation_ionic_oct_m::perturbation_ionic_t::setup_mix_dir

private

Definition at line 177 of file perturbation_ionic.F90.

perturbation_ionic_finalize()

final perturbation_ionic_oct_m::perturbation_ionic_t::perturbation_ionic_finalize

finalprivate

Definition at line 178 of file perturbation_ionic.F90.

Member Data Documentation

ions

type(ions_t), pointer perturbation_ionic_oct_m::perturbation_ionic_t::ions => null()

private

Definition at line 156 of file perturbation_ionic.F90.

pure_dir

logical perturbation_ionic_oct_m::perturbation_ionic_t::pure_dir

private

if pure_dir is .false. then the perturbation is a combination of displacements of atoms. If pure_dir is .true., next mix1 and mix2 arrays are allocated If pure_dir is .false., atom, dir, atom2 and dir2 are used

Definition at line 162 of file perturbation_ionic.F90.

atom1

integer perturbation_ionic_oct_m::perturbation_ionic_t::atom1

private

Definition at line 163 of file perturbation_ionic.F90.

atom2

integer perturbation_ionic_oct_m::perturbation_ionic_t::atom2

private

Definition at line 163 of file perturbation_ionic.F90.

mix1

real(real64), dimension(:,:), allocatable perturbation_ionic_oct_m::perturbation_ionic_t::mix1

private

mix1(natoms, ndim)

Definition at line 164 of file perturbation_ionic.F90.

mix2

real(real64), dimension(:,:), allocatable perturbation_ionic_oct_m::perturbation_ionic_t::mix2

private

Definition at line 165 of file perturbation_ionic.F90.

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

• electrons/perturbation_ionic.F90