Octopus
propagator_rk.F90 File Reference

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Modules

module  propagator_rk_oct_m
 

Functions/Subroutines

subroutine, public propagator_rk_oct_m::td_explicit_runge_kutta4 (ks, namespace, space, hm, gr, st, time, dt, ions_dyn, ions, ext_partners, qcchi)
 
subroutine f_psi (tau)
 
subroutine f_ions (tau)
 
subroutine f_chi (tau)
 
subroutine apply_inh ()
 
subroutine prepare_inh ()
 
subroutine update_state (epsilon)
 
subroutine, public propagator_rk_oct_m::td_runge_kutta2 (ks, namespace, space, hm, gr, st, tr, time, dt, ions_dyn, ions, ext_partners)
 
subroutine, public propagator_rk_oct_m::td_runge_kutta4 (ks, namespace, space, hm, gr, st, tr, time, dt, ions_dyn, ions, ext_partners)
 
subroutine propagator_rk_oct_m::td_rk4op (xre, xim, yre, yim)
 operators for Crank-Nicolson scheme More...
 
subroutine propagator_rk_oct_m::td_rk4opt (xre, xim, yre, yim)
 Transpose of H (called e.g. by bi-conjugate gradient solver) More...
 
subroutine propagator_rk_oct_m::td_rk2op (xre, xim, yre, yim)
 operator for the RK2 propagator More...
 
subroutine propagator_rk_oct_m::td_rk2opt (xre, xim, yre, yim)
 operator for the RK2 propagator More...
 

Variables

class(mesh_t), pointer, private propagator_rk_oct_m::mesh_p
 
type(hamiltonian_elec_t), pointer, private propagator_rk_oct_m::hm_p
 
type(states_elec_t), pointer, private propagator_rk_oct_m::st_p
 
type(propagator_base_t), pointer, private propagator_rk_oct_m::tr_p
 
type(namespace_t), pointer, private propagator_rk_oct_m::namespace_p
 
type(electron_space_t), pointer, private propagator_rk_oct_m::space_p
 
type(partner_list_t), pointer, private propagator_rk_oct_m::ext_partners_p
 
integer, private propagator_rk_oct_m::dim_op
 
real(real64), private propagator_rk_oct_m::t_op
 
real(real64), private propagator_rk_oct_m::dt_op
 
real(real64), dimension(:, :), allocatable, private propagator_rk_oct_m::vhxc1_op
 
real(real64), dimension(:, :), allocatable, private propagator_rk_oct_m::vhxc2_op
 
real(real64), dimension(:), allocatable, private propagator_rk_oct_m::vpsl1_op
 
real(real64), dimension(:), allocatable, private propagator_rk_oct_m::vpsl2_op
 
logical propagator_rk_oct_m::move_ions_op
 

Function/Subroutine Documentation

◆ f_psi()

subroutine td_explicit_runge_kutta4::f_psi ( real(real64), intent(in)  tau)
private

Definition at line 452 of file propagator_rk.F90.

◆ f_ions()

subroutine td_explicit_runge_kutta4::f_ions ( real(real64), intent(in)  tau)
private

Definition at line 472 of file propagator_rk.F90.

◆ f_chi()

subroutine td_explicit_runge_kutta4::f_chi ( real(real64), intent(in)  tau)
private

Definition at line 489 of file propagator_rk.F90.

◆ apply_inh()

subroutine td_explicit_runge_kutta4::apply_inh
private

Definition at line 507 of file propagator_rk.F90.

◆ prepare_inh()

subroutine td_explicit_runge_kutta4::prepare_inh
private

Definition at line 519 of file propagator_rk.F90.

◆ update_state()

subroutine td_explicit_runge_kutta4::update_state ( real(real64), intent(in)  epsilon)
private

Definition at line 565 of file propagator_rk.F90.