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Private Attributes | List of all members
v_ks_oct_m::v_ks_calc_t Type Reference

Detailed Description

Definition at line 199 of file v_ks.F90.

Private Attributes

logical calculating
 
logical time_present
 
real(real64) time
 
real(real64), dimension(:, :), allocatable density
 
logical total_density_alloc
 
real(real64), dimension(:), pointer, contiguous total_density
 
type(energy_t), allocatable energy
 
type(states_elec_t), pointer hf_st
 A copy of the states for the exchange operator This is only needed for the non-ACE case, as we need to use states from the prior iteration to get the exchange operator on new states. More...
 
real(real64), dimension(:, :), allocatable vxc
 
real(real64), dimension(:, :), allocatable vtau
 
real(real64), dimension(:, :, :), allocatable axc
 
real(real64), dimension(:, :), allocatable a_ind
 
real(real64), dimension(:, :), allocatable b_ind
 
logical calc_energy
 

Member Data Documentation

◆ calculating

logical v_ks_oct_m::v_ks_calc_t::calculating
private

Definition at line 201 of file v_ks.F90.

◆ time_present

logical v_ks_oct_m::v_ks_calc_t::time_present
private

Definition at line 202 of file v_ks.F90.

◆ time

real(real64) v_ks_oct_m::v_ks_calc_t::time
private

Definition at line 203 of file v_ks.F90.

◆ density

real(real64), dimension(:, :), allocatable v_ks_oct_m::v_ks_calc_t::density
private

Definition at line 204 of file v_ks.F90.

◆ total_density_alloc

logical v_ks_oct_m::v_ks_calc_t::total_density_alloc
private

Definition at line 205 of file v_ks.F90.

◆ total_density

real(real64), dimension(:), pointer, contiguous v_ks_oct_m::v_ks_calc_t::total_density
private

Definition at line 206 of file v_ks.F90.

◆ energy

type(energy_t), allocatable v_ks_oct_m::v_ks_calc_t::energy
private

Definition at line 207 of file v_ks.F90.

◆ hf_st

type(states_elec_t), pointer v_ks_oct_m::v_ks_calc_t::hf_st
private

A copy of the states for the exchange operator This is only needed for the non-ACE case, as we need to use states from the prior iteration to get the exchange operator on new states.

Definition at line 209 of file v_ks.F90.

◆ vxc

real(real64), dimension(:, :), allocatable v_ks_oct_m::v_ks_calc_t::vxc
private

Definition at line 214 of file v_ks.F90.

◆ vtau

real(real64), dimension(:, :), allocatable v_ks_oct_m::v_ks_calc_t::vtau
private

Definition at line 215 of file v_ks.F90.

◆ axc

real(real64), dimension(:, :, :), allocatable v_ks_oct_m::v_ks_calc_t::axc
private

Definition at line 216 of file v_ks.F90.

◆ a_ind

real(real64), dimension(:, :), allocatable v_ks_oct_m::v_ks_calc_t::a_ind
private

Definition at line 217 of file v_ks.F90.

◆ b_ind

real(real64), dimension(:, :), allocatable v_ks_oct_m::v_ks_calc_t::b_ind
private

Definition at line 218 of file v_ks.F90.

◆ calc_energy

logical v_ks_oct_m::v_ks_calc_t::calc_energy
private

Definition at line 219 of file v_ks.F90.

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