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Octopus
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Octopus
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This module implements the underlying real-space grid. More...
This module implements the underlying real-space grid.
Data Types | |
| type | grid_t |
| Description of the grid, containing information on derivatives, stencil, and symmetries. More... | |
Functions/Subroutines | |
| subroutine, public | grid_init_stage_1 (gr, namespace, space, symm, latt, n_sites, site_position) |
| First stage of the grid initialization. More... | |
| subroutine, public | grid_init_from_grid_stage_1 (gr, original_gr, namespace, space, box, spacing_prefactor, latt, n_sites, site_position) |
| this subroutine allows to create a grid from an existing grid More... | |
| subroutine | initialize_coordinate_system (gr, namespace, space, grid_spacing, latt, n_sites, site_position) |
| this subroutine initializes the coordinate system More... | |
| subroutine, public | grid_init_stage_2 (gr, namespace, space, mc, qvector) |
| Second stage of the grid initialization. More... | |
| subroutine, public | grid_end (gr) |
| finalize a grid object More... | |
| subroutine, public | grid_write_info (gr, iunit, namespace) |
| subroutine, public | grid_lattice_vectors_update (gr, space, namespace, mc, new_latt) |
| Regenerate the grid information after update of the lattice vectors. More... | |
| subroutine, public | dgrid_symmetrize_scalar_field (gr, field, suppress_warning) |
| subroutine, public | dgrid_symmetrize_vector_field (gr, field, suppress_warning) |
| subroutine, public | dgrid_symmetrize_single (gr, iop, field, symm_field, suppress_warning) |
| subroutine, public | zgrid_symmetrize_scalar_field (gr, field, suppress_warning) |
| subroutine, public | zgrid_symmetrize_vector_field (gr, field, suppress_warning) |
| subroutine, public | zgrid_symmetrize_single (gr, iop, field, symm_field, suppress_warning) |
Variables | |
| integer, parameter | curv_affine = 1 |
| integer, parameter | curv_gygi = 2 |
| integer, parameter | curv_briggs = 3 |
| integer, parameter | curv_modine = 4 |
| subroutine, public grid_oct_m::grid_init_stage_1 | ( | type(grid_t), intent(inout) | gr, |
| type(namespace_t), intent(in) | namespace, | ||
| class(space_t), intent(in) | space, | ||
| type(symmetries_t), intent(in), optional | symm, | ||
| type(lattice_vectors_t), intent(in), optional | latt, | ||
| integer, intent(in), optional | n_sites, | ||
| real(real64), dimension(:,:), intent(in), optional | site_position | ||
| ) |
| subroutine, public grid_oct_m::grid_init_from_grid_stage_1 | ( | type(grid_t), intent(inout) | gr, |
| type(grid_t), intent(in) | original_gr, | ||
| type(namespace_t), intent(in) | namespace, | ||
| class(space_t), intent(in) | space, | ||
| class(box_t), intent(in), optional, target | box, | ||
| real(real64), dimension(:), intent(in), optional | spacing_prefactor, | ||
| type(lattice_vectors_t), intent(in), optional | latt, | ||
| integer, intent(in), optional | n_sites, | ||
| real(real64), dimension(:,:), intent(in), optional | site_position | ||
| ) |
|
private |
| subroutine, public grid_oct_m::grid_init_stage_2 | ( | type(grid_t), intent(inout), target | gr, |
| type(namespace_t), intent(in) | namespace, | ||
| class(space_t), intent(in) | space, | ||
| type(multicomm_t), intent(in) | mc, | ||
| real(real64), dimension(:), intent(in), optional | qvector | ||
| ) |
| subroutine, public grid_oct_m::grid_end | ( | type(grid_t), intent(inout) | gr | ) |
| subroutine, public grid_oct_m::grid_write_info | ( | type(grid_t), intent(in) | gr, |
| integer, intent(in), optional | iunit, | ||
| type(namespace_t), intent(in), optional | namespace | ||
| ) |
| subroutine, public grid_oct_m::grid_lattice_vectors_update | ( | type(grid_t), intent(inout) | gr, |
| type(space_t), intent(in) | space, | ||
| type(namespace_t), intent(in) | namespace, | ||
| type(multicomm_t), intent(in) | mc, | ||
| type(lattice_vectors_t), intent(in) | new_latt | ||
| ) |
| subroutine, public grid_oct_m::dgrid_symmetrize_scalar_field | ( | type(grid_t), intent(in) | gr, |
| real(real64), dimension(:), intent(inout) | field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
| subroutine, public grid_oct_m::dgrid_symmetrize_vector_field | ( | type(grid_t), intent(in) | gr, |
| real(real64), dimension(:,:), intent(inout) | field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
| subroutine, public grid_oct_m::dgrid_symmetrize_single | ( | type(grid_t), intent(in) | gr, |
| integer, intent(in) | iop, | ||
| real(real64), dimension(:), intent(in) | field, | ||
| real(real64), dimension(:), intent(out) | symm_field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
| subroutine, public grid_oct_m::zgrid_symmetrize_scalar_field | ( | type(grid_t), intent(in) | gr, |
| complex(real64), dimension(:), intent(inout) | field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
| subroutine, public grid_oct_m::zgrid_symmetrize_vector_field | ( | type(grid_t), intent(in) | gr, |
| complex(real64), dimension(:,:), intent(inout) | field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
| subroutine, public grid_oct_m::zgrid_symmetrize_single | ( | type(grid_t), intent(in) | gr, |
| integer, intent(in) | iop, | ||
| complex(real64), dimension(:), intent(in) | field, | ||
| complex(real64), dimension(:), intent(out) | symm_field, | ||
| logical, intent(in), optional | suppress_warning | ||
| ) |
1.9.4