mix_oct_m::mixfield_t Type Reference

Quantities used in mixing: Input, output and new potentials, and the residuals. More...

Detailed Description

Quantities used in mixing: Input, output and new potentials, and the residuals.

Definition at line 173 of file mix.F90.

Private Attributes
real(real64), dimension(:, :, :), allocatable	ddf
	Residual for prior iterations. More...
real(real64), dimension(:, :, :), allocatable	ddv
	Potential vin for prior iterations. More...
real(real64), dimension(:, :), allocatable	df_old
	Residual saved for the current iteration. More...
real(real64), dimension(:, :), allocatable	dvin_old
	Input potential saved for the current iteration. More...
real(real64), dimension(:, :), allocatable	dvin
	Input potential. More...
real(real64), dimension(:, :), allocatable	dvout
	Output potential. More...
real(real64), dimension(:, :), allocatable	dvnew
	Result of mixed input and output potentials. More...
real(real64), dimension(:, :), allocatable	dresidual
	Residual (named f elsewhere) More...
complex(real64), dimension(:, :, :), allocatable	zdf
complex(real64), dimension(:, :, :), allocatable	zdv
complex(real64), dimension(:, :), allocatable	zf_old
complex(real64), dimension(:, :), allocatable	zvin_old
complex(real64), dimension(:, :), allocatable	zvin
complex(real64), dimension(:, :), allocatable	zvout
complex(real64), dimension(:, :), allocatable	zvnew
complex(real64), dimension(:, :), allocatable	zresidual
type(type_t)	func_type
	type of the functions to be mixed More...
integer	d1
integer	d2
integer	d3
	the dimensions of the arrays that store the information from the previous iterations More...
logical	mix_spin_density_matrix
	Mixing charge density and magnetization or the spin density matrix. More...

Member Data Documentation

ddf

real(real64), dimension(:, :, :), allocatable mix_oct_m::mixfield_t::ddf

private

Residual for prior iterations.

Definition at line 176 of file mix.F90.

ddv

real(real64), dimension(:, :, :), allocatable mix_oct_m::mixfield_t::ddv

private

Potential vin for prior iterations.

Definition at line 177 of file mix.F90.

df_old

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::df_old

private

Residual saved for the current iteration.

Definition at line 178 of file mix.F90.

dvin_old

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::dvin_old

private

Input potential saved for the current iteration.

Definition at line 179 of file mix.F90.

dvin

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::dvin

private

Input potential.

Definition at line 180 of file mix.F90.

dvout

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::dvout

private

Output potential.

Definition at line 181 of file mix.F90.

dvnew

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::dvnew

private

Result of mixed input and output potentials.

Definition at line 182 of file mix.F90.

dresidual

real(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::dresidual

private

Residual (named f elsewhere)

Definition at line 183 of file mix.F90.

zdf

complex(real64), dimension(:, :, :), allocatable mix_oct_m::mixfield_t::zdf

private

Definition at line 186 of file mix.F90.

zdv

complex(real64), dimension(:, :, :), allocatable mix_oct_m::mixfield_t::zdv

private

Definition at line 187 of file mix.F90.

zf_old

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zf_old

private

Definition at line 188 of file mix.F90.

zvin_old

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zvin_old

private

Definition at line 189 of file mix.F90.

zvin

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zvin

private

Definition at line 190 of file mix.F90.

zvout

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zvout

private

Definition at line 191 of file mix.F90.

zvnew

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zvnew

private

Definition at line 192 of file mix.F90.

zresidual

complex(real64), dimension(:, :), allocatable mix_oct_m::mixfield_t::zresidual

private

Definition at line 193 of file mix.F90.

func_type

type(type_t) mix_oct_m::mixfield_t::func_type

private

type of the functions to be mixed

Definition at line 195 of file mix.F90.

d1

integer mix_oct_m::mixfield_t::d1

private

Definition at line 196 of file mix.F90.

d2

integer mix_oct_m::mixfield_t::d2

private

Definition at line 196 of file mix.F90.

d3

integer mix_oct_m::mixfield_t::d3

private

the dimensions of the arrays that store the information from the previous iterations

Definition at line 196 of file mix.F90.

mix_spin_density_matrix

logical mix_oct_m::mixfield_t::mix_spin_density_matrix

private

Mixing charge density and magnetization or the spin density matrix.

Definition at line 199 of file mix.F90.

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

• scf/mix.F90