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td_oct_m::td_t Type Reference

Detailed Description

Definition at line 207 of file td.F90.

Public Attributes

type(propagator_base_t), public tr
 contains the details of the time-evolution More...
 
type(scf_t), public scf
 
type(ion_dynamics_t), public ions_dyn
 
real(real64), public dt
 time step More...
 
integer, public max_iter
 maximum number of iterations to perform More...
 
integer, public iter
 the actual iteration More...
 
logical, public recalculate_gs
 Recalculate ground-state along the evolution. More...
 
integer, public recalculate_gs_interval
 when should the GS be recalculated More...
 
type(pes_t), public pesv
 
integer, public dynamics
 
integer, public energy_update_iter
 
type(td_write_t), public write_handler
 

Private Attributes

real(real64) scissor
 
logical freeze_occ
 
logical freeze_u
 
integer freeze_orbitals
 
logical from_scratch = .false.
 
type(restart_t) restart_load
 
type(restart_t) restart_dump
 
type(dmp_t) dmp
 Density matrix propagation. More...
 

Member Data Documentation

◆ tr

type(propagator_base_t), public td_oct_m::td_t::tr

contains the details of the time-evolution

Definition at line 209 of file td.F90.

◆ scf

type(scf_t), public td_oct_m::td_t::scf

Definition at line 210 of file td.F90.

◆ ions_dyn

type(ion_dynamics_t), public td_oct_m::td_t::ions_dyn

Definition at line 211 of file td.F90.

◆ dt

real(real64), public td_oct_m::td_t::dt

time step

Definition at line 212 of file td.F90.

◆ max_iter

integer, public td_oct_m::td_t::max_iter

maximum number of iterations to perform

Definition at line 213 of file td.F90.

◆ iter

integer, public td_oct_m::td_t::iter

the actual iteration

Definition at line 214 of file td.F90.

◆ recalculate_gs

logical, public td_oct_m::td_t::recalculate_gs

Recalculate ground-state along the evolution.

Definition at line 215 of file td.F90.

◆ recalculate_gs_interval

integer, public td_oct_m::td_t::recalculate_gs_interval

when should the GS be recalculated

Definition at line 216 of file td.F90.

◆ pesv

type(pes_t), public td_oct_m::td_t::pesv

Definition at line 218 of file td.F90.

◆ dynamics

integer, public td_oct_m::td_t::dynamics

Definition at line 220 of file td.F90.

◆ energy_update_iter

integer, public td_oct_m::td_t::energy_update_iter

Definition at line 221 of file td.F90.

◆ scissor

real(real64) td_oct_m::td_t::scissor
private

Definition at line 222 of file td.F90.

◆ freeze_occ

logical td_oct_m::td_t::freeze_occ
private

Definition at line 224 of file td.F90.

◆ freeze_u

logical td_oct_m::td_t::freeze_u
private

Definition at line 225 of file td.F90.

◆ freeze_orbitals

integer td_oct_m::td_t::freeze_orbitals
private

Definition at line 226 of file td.F90.

◆ from_scratch

logical td_oct_m::td_t::from_scratch = .false.
private

Definition at line 228 of file td.F90.

◆ write_handler

type(td_write_t), public td_oct_m::td_t::write_handler

Definition at line 230 of file td.F90.

◆ restart_load

type(restart_t) td_oct_m::td_t::restart_load
private

Definition at line 231 of file td.F90.

◆ restart_dump

type(restart_t) td_oct_m::td_t::restart_dump
private

Definition at line 232 of file td.F90.

◆ dmp

type(dmp_t) td_oct_m::td_t::dmp
private

Density matrix propagation.

Definition at line 234 of file td.F90.

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