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