Octopus
pes_oct_m Module Reference

Data Types

type  pes_t
 

Functions/Subroutines

subroutine, public pes_init (pes, namespace, space, mesh, box, st, save_iter, kpoints, abs_boundaries, ext_partners, max_iter, dt)
 
subroutine, public pes_end (pes)
 
subroutine, public pes_calc (pes, namespace, space, mesh, st, dt, iter, der, kpoints, ext_partners, stopping)
 
subroutine, public pes_output (pes, namespace, space, gr, st, iter, outp, dt, ions)
 
subroutine, public pes_dump (pes, namespace, restart, st, mesh, ierr)
 
subroutine, public pes_load (pes, namespace, restart, st, ierr)
 
subroutine, public pes_init_write (pes, mesh, st, namespace)
 

Variables

integer, parameter photoelectron_none = 0
 
integer, parameter photoelectron_spm = 2
 
integer, parameter photoelectron_mask = 4
 
integer, parameter photoelectron_flux = 8
 

Function/Subroutine Documentation

◆ pes_init()

subroutine, public pes_oct_m::pes_init ( type(pes_t), intent(out)  pes,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
class(mesh_t), intent(in)  mesh,
class(box_t), intent(in)  box,
type(states_elec_t), intent(in)  st,
integer, intent(in)  save_iter,
type(kpoints_t), intent(in)  kpoints,
type(absorbing_boundaries_t), intent(in)  abs_boundaries,
type(partner_list_t), intent(in)  ext_partners,
integer, intent(in)  max_iter,
real(real64), intent(in)  dt 
)

Definition at line 174 of file pes.F90.

◆ pes_end()

subroutine, public pes_oct_m::pes_end ( type(pes_t), intent(inout)  pes)

Definition at line 254 of file pes.F90.

◆ pes_calc()

subroutine, public pes_oct_m::pes_calc ( type(pes_t), intent(inout)  pes,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
class(mesh_t), intent(in)  mesh,
type(states_elec_t), intent(inout)  st,
real(real64), intent(in)  dt,
integer, intent(in)  iter,
type(derivatives_t), intent(in)  der,
type(kpoints_t), intent(in)  kpoints,
type(partner_list_t), intent(in)  ext_partners,
logical, intent(in)  stopping 
)

Definition at line 268 of file pes.F90.

◆ pes_output()

subroutine, public pes_oct_m::pes_output ( type(pes_t), intent(inout)  pes,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(grid_t), intent(in)  gr,
type(states_elec_t), intent(in)  st,
integer, intent(in)  iter,
type(output_t), intent(in)  outp,
real(real64), intent(in)  dt,
type(ions_t), intent(in)  ions 
)

Definition at line 294 of file pes.F90.

◆ pes_dump()

subroutine, public pes_oct_m::pes_dump ( type(pes_t), intent(in)  pes,
type(namespace_t), intent(in)  namespace,
type(restart_t), intent(in)  restart,
type(states_elec_t), intent(in)  st,
class(mesh_t), intent(in)  mesh,
integer, intent(out)  ierr 
)

Definition at line 318 of file pes.F90.

◆ pes_load()

subroutine, public pes_oct_m::pes_load ( type(pes_t), intent(inout)  pes,
type(namespace_t), intent(in)  namespace,
type(restart_t), intent(in)  restart,
type(states_elec_t), intent(inout)  st,
integer, intent(out)  ierr 
)

Definition at line 362 of file pes.F90.

◆ pes_init_write()

subroutine, public pes_oct_m::pes_init_write ( type(pes_t), intent(in)  pes,
class(mesh_t), intent(in)  mesh,
type(states_elec_t), intent(in)  st,
type(namespace_t), intent(in)  namespace 
)

Definition at line 406 of file pes.F90.

Variable Documentation

◆ photoelectron_none

integer, parameter pes_oct_m::photoelectron_none = 0
private

Definition at line 165 of file pes.F90.

◆ photoelectron_spm

integer, parameter pes_oct_m::photoelectron_spm = 2
private

Definition at line 165 of file pes.F90.

◆ photoelectron_mask

integer, parameter pes_oct_m::photoelectron_mask = 4
private

Definition at line 165 of file pes.F90.

◆ photoelectron_flux

integer, parameter pes_oct_m::photoelectron_flux = 8
private

Definition at line 165 of file pes.F90.