propagator_base_oct_m::propagator_base_t Type Reference

Detailed Description

Definition at line 143 of file propagator_base.F90.

Private Attributes
integer	method
	Which evolution method to use. More...
type(exponential_t)	te
	How to apply the propagator \( e^{-i H \Delta t} \). More...
type(potential_interpolation_t)	vks_old
	Storage of the KS potential of previous iterations. More...
real(real64), dimension(:, :, :), allocatable	vmagnus
	Auxiliary function to store the Magnus potentials. More...
integer	scf_propagation_steps
type(sparskit_solver_t)	tdsk
integer	tdsk_size
real(real64)	scf_threshold
type(propagation_ops_elec_t)	propagation_ops_elec

Member Data Documentation

method

integer propagator_base_oct_m::propagator_base_t::method

private

Which evolution method to use.

Definition at line 145 of file propagator_base.F90.

te

type(exponential_t) propagator_base_oct_m::propagator_base_t::te

private

How to apply the propagator \( e^{-i H \Delta t} \).

Definition at line 146 of file propagator_base.F90.

vks_old

type(potential_interpolation_t) propagator_base_oct_m::propagator_base_t::vks_old

private

Storage of the KS potential of previous iterations.

Definition at line 148 of file propagator_base.F90.

vmagnus

real(real64), dimension(:, :, :), allocatable propagator_base_oct_m::propagator_base_t::vmagnus

private

Auxiliary function to store the Magnus potentials.

Definition at line 150 of file propagator_base.F90.

scf_propagation_steps

integer propagator_base_oct_m::propagator_base_t::scf_propagation_steps

private

Definition at line 151 of file propagator_base.F90.

tdsk

type(sparskit_solver_t) propagator_base_oct_m::propagator_base_t::tdsk

private

Definition at line 152 of file propagator_base.F90.

tdsk_size

integer propagator_base_oct_m::propagator_base_t::tdsk_size

private

Definition at line 153 of file propagator_base.F90.

scf_threshold

real(real64) propagator_base_oct_m::propagator_base_t::scf_threshold

private

Definition at line 154 of file propagator_base.F90.

propagation_ops_elec

type(propagation_ops_elec_t) propagator_base_oct_m::propagator_base_t::propagation_ops_elec

private

Definition at line 156 of file propagator_base.F90.

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

• td/propagator_base.F90