Octopus
propagation_ops_elec_oct_m Module Reference

Data Types

type  propagation_ops_elec_t
 

Functions/Subroutines

subroutine, public propagation_ops_elec_update_hamiltonian (namespace, space, st, mesh, hm, ext_partners, time)
 
subroutine, public propagation_ops_elec_move_ions (wo, gr, hm, st, namespace, space, ions_dyn, ions, ext_partners, time, dt, save_pos)
 
subroutine, public propagation_ops_elec_restore_ions (wo, ions_dyn, ions)
 
subroutine, public propagation_ops_elec_propagate_gauge_field (wo, gfield, dt, time, save_gf)
 
subroutine, public propagation_ops_elec_restore_gauge_field (wo, namespace, space, hm, mesh, ext_partners)
 
subroutine, public propagation_ops_elec_exp_apply (te, namespace, st, mesh, hm, dt)
 
subroutine, public propagation_ops_elec_fuse_density_exp_apply (te, namespace, st, gr, hm, dt, dt2, vmagnus)
 
subroutine, public propagation_ops_do_pack (st, hm, ib, ik)
 
subroutine, public propagation_ops_do_unpack (st, hm, ib, ik)
 
subroutine, public propagation_ops_finish_unpack (st, hm, ib, ik)
 
subroutine, public propagation_ops_elec_interpolate_get (mesh, hm, interp)
 
subroutine calculate_mxll_dipole_field (hm, mesh, st)
 

Function/Subroutine Documentation

◆ propagation_ops_elec_update_hamiltonian()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_update_hamiltonian ( type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(states_elec_t), intent(inout)  st,
class(mesh_t), intent(in)  mesh,
type(hamiltonian_elec_t), intent(inout)  hm,
type(partner_list_t), intent(in)  ext_partners,
real(real64), intent(in)  time 
)

Definition at line 174 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_move_ions()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_move_ions ( class(propagation_ops_elec_t), intent(inout)  wo,
type(grid_t), intent(in)  gr,
type(hamiltonian_elec_t), intent(inout)  hm,
type(states_elec_t), intent(inout)  st,
type(namespace_t), intent(in)  namespace,
type(electron_space_t), intent(in)  space,
type(ion_dynamics_t), intent(inout)  ions_dyn,
type(ions_t), intent(inout)  ions,
type(partner_list_t), intent(in)  ext_partners,
real(real64), intent(in)  time,
real(real64), intent(in)  dt,
logical, intent(in), optional  save_pos 
)

Definition at line 199 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_restore_ions()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_restore_ions ( class(propagation_ops_elec_t), intent(inout)  wo,
type(ion_dynamics_t), intent(inout)  ions_dyn,
type(ions_t), intent(inout)  ions 
)

Definition at line 236 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_propagate_gauge_field()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_propagate_gauge_field ( class(propagation_ops_elec_t), intent(inout)  wo,
type(gauge_field_t), intent(inout)  gfield,
real(real64), intent(in)  dt,
real(real64), intent(in)  time,
logical, intent(in), optional  save_gf 
)

Definition at line 256 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_restore_gauge_field()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_restore_gauge_field ( class(propagation_ops_elec_t), intent(inout)  wo,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(hamiltonian_elec_t), intent(inout)  hm,
class(mesh_t), intent(in)  mesh,
type(partner_list_t), intent(in)  ext_partners 
)

Definition at line 284 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_exp_apply()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_exp_apply ( type(exponential_t), intent(inout)  te,
type(namespace_t), intent(in)  namespace,
type(states_elec_t), intent(inout)  st,
class(mesh_t), intent(in)  mesh,
type(hamiltonian_elec_t), intent(inout)  hm,
real(real64), intent(in)  dt 
)

Definition at line 313 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_fuse_density_exp_apply()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_fuse_density_exp_apply ( type(exponential_t), intent(inout)  te,
type(namespace_t), intent(in)  namespace,
type(states_elec_t), intent(inout)  st,
type(grid_t), intent(in)  gr,
type(hamiltonian_elec_t), intent(inout)  hm,
real(real64), intent(in)  dt,
real(real64), intent(in), optional  dt2,
real(real64), dimension(:,:,:), intent(in), optional  vmagnus 
)

Definition at line 357 of file propagation_ops_elec.F90.

◆ propagation_ops_do_pack()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_do_pack ( type(states_elec_t), intent(inout)  st,
type(hamiltonian_elec_t), intent(inout)  hm,
integer, intent(in)  ib,
integer, intent(in)  ik 
)

Definition at line 432 of file propagation_ops_elec.F90.

◆ propagation_ops_do_unpack()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_do_unpack ( type(states_elec_t), intent(inout)  st,
type(hamiltonian_elec_t), intent(inout)  hm,
integer, intent(in)  ib,
integer, intent(in)  ik 
)

Definition at line 448 of file propagation_ops_elec.F90.

◆ propagation_ops_finish_unpack()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_finish_unpack ( type(states_elec_t), intent(inout)  st,
type(hamiltonian_elec_t), intent(inout)  hm,
integer, intent(in)  ib,
integer, intent(in)  ik 
)

Definition at line 464 of file propagation_ops_elec.F90.

◆ propagation_ops_elec_interpolate_get()

subroutine, public propagation_ops_elec_oct_m::propagation_ops_elec_interpolate_get ( class(mesh_t), intent(in)  mesh,
type(hamiltonian_elec_t), intent(inout)  hm,
type(potential_interpolation_t), intent(inout)  interp 
)

Definition at line 480 of file propagation_ops_elec.F90.

◆ calculate_mxll_dipole_field()

subroutine propagation_ops_elec_oct_m::calculate_mxll_dipole_field ( type(hamiltonian_elec_t), intent(inout), target  hm,
class(mesh_t), intent(in)  mesh,
type(states_elec_t), intent(in)  st 
)
private

Definition at line 494 of file propagation_ops_elec.F90.