Octopus
|
Data Types | |
type | cube_function_t |
Functions/Subroutines | |
subroutine, public | dcube_function_alloc_rs (cube, cf, in_device, force_alloc) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer. More... | |
subroutine, public | dcube_function_free_rs (cube, cf) |
Deallocates the real space grid. More... | |
subroutine, public | dcube_function_allgather (cube, cf, cf_local, order, gatherfs) |
subroutine, public | dmesh_to_cube (mesh, mf, cube, cf) |
The next two subroutines convert a function between the normal mesh and the cube. More... | |
subroutine, public | dcube_to_mesh (cube, cf, mesh, mf) |
subroutine, public | dmesh_to_cube_parallel (mesh, mf, cube, cf, map) |
The next two subroutines convert a function between the normal mesh and the cube in parallel. More... | |
subroutine, public | dcube_to_mesh_parallel (cube, cf, mesh, mf, map) |
real(real64) function, public | dcube_function_surface_average (cube, cf) |
This function calculates the surface average of any function. More... | |
subroutine, public | dsubmesh_to_cube (sm, mf, cube, cf) |
The next two subroutines convert a function between a submesh and the cube. More... | |
subroutine, public | dcube_to_submesh (cube, cf, sm, mf) |
subroutine, public | zcube_function_alloc_rs (cube, cf, in_device, force_alloc) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer. More... | |
subroutine, public | zcube_function_free_rs (cube, cf) |
Deallocates the real space grid. More... | |
subroutine, public | zcube_function_allgather (cube, cf, cf_local, order, gatherfs) |
subroutine, public | zmesh_to_cube (mesh, mf, cube, cf) |
The next two subroutines convert a function between the normal mesh and the cube. More... | |
subroutine, public | zcube_to_mesh (cube, cf, mesh, mf) |
subroutine, public | zmesh_to_cube_parallel (mesh, mf, cube, cf, map) |
The next two subroutines convert a function between the normal mesh and the cube in parallel. More... | |
subroutine, public | zcube_to_mesh_parallel (cube, cf, mesh, mf, map) |
complex(real64) function, public | zcube_function_surface_average (cube, cf) |
This function calculates the surface average of any function. More... | |
subroutine, public | zsubmesh_to_cube (sm, mf, cube, cf) |
The next two subroutines convert a function between a submesh and the cube. More... | |
subroutine, public | zcube_to_submesh (cube, cf, sm, mf) |
subroutine, public cube_function_oct_m::dcube_function_alloc_rs | ( | type(cube_t), intent(in), target | cube, |
type(cube_function_t), intent(inout) | cf, | ||
logical, intent(in), optional | in_device, | ||
logical, intent(in), optional | force_alloc | ||
) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.
Definition at line 247 of file cube_function.F90.
subroutine, public cube_function_oct_m::dcube_function_free_rs | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(inout) | cf | ||
) |
Deallocates the real space grid.
Definition at line 298 of file cube_function.F90.
subroutine, public cube_function_oct_m::dcube_function_allgather | ( | type(cube_t), intent(in) | cube, |
real(real64), dimension(:,:,:), intent(out) | cf, | ||
real(real64), dimension(:,:,:), intent(in), contiguous | cf_local, | ||
integer, dimension(3), intent(in), optional | order, | ||
logical, intent(in), optional | gatherfs | ||
) |
Definition at line 338 of file cube_function.F90.
subroutine, public cube_function_oct_m::dmesh_to_cube | ( | class(mesh_t), intent(in) | mesh, |
real(real64), dimension(:), intent(in), target, contiguous | mf, | ||
type(cube_t), intent(in), target | cube, | ||
type(cube_function_t), intent(inout) | cf | ||
) |
The next two subroutines convert a function between the normal mesh and the cube.
Note that the function in the mesh should be defined globally, not just in a partition (when running in parallel in real-space domains).
[in] | mf | function defined on the mesh, meshnp points |
Definition at line 437 of file cube_function.F90.
subroutine, public cube_function_oct_m::dcube_to_mesh | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
class(mesh_t), intent(in) | mesh, | ||
real(real64), dimension(:), intent(out), target, contiguous | mf | ||
) |
[out] | mf | function defined on the mesh, meshnp points |
Definition at line 637 of file cube_function.F90.
subroutine, public cube_function_oct_m::dmesh_to_cube_parallel | ( | class(mesh_t), intent(in) | mesh, |
real(real64), dimension(:), intent(in), target | mf, | ||
type(cube_t), intent(in) | cube, | ||
type(cube_function_t), intent(inout) | cf, | ||
type(mesh_cube_parallel_map_t), intent(in) | map | ||
) |
The next two subroutines convert a function between the normal mesh and the cube in parallel.
[in] | mf | mf(meshnp) |
Definition at line 714 of file cube_function.F90.
subroutine, public cube_function_oct_m::dcube_to_mesh_parallel | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
class(mesh_t), intent(in) | mesh, | ||
real(real64), dimension(:), intent(out) | mf, | ||
type(mesh_cube_parallel_map_t), intent(in) | map | ||
) |
[out] | mf | mf(meshnp) |
Definition at line 805 of file cube_function.F90.
real(real64) function, public cube_function_oct_m::dcube_function_surface_average | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf | ||
) |
This function calculates the surface average of any function.
Definition at line 880 of file cube_function.F90.
subroutine, public cube_function_oct_m::dsubmesh_to_cube | ( | type(submesh_t), intent(in) | sm, |
real(real64), dimension(:), intent(in), target | mf, | ||
type(cube_t), intent(in) | cube, | ||
type(cube_function_t), intent(inout) | cf | ||
) |
The next two subroutines convert a function between a submesh and the cube.
[in] | mf | function defined on the submesh. |
Definition at line 928 of file cube_function.F90.
subroutine, public cube_function_oct_m::dcube_to_submesh | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
type(submesh_t), intent(in) | sm, | ||
real(real64), dimension(:), intent(out), target | mf | ||
) |
[out] | mf | function defined on the submesh. |
Definition at line 970 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_function_alloc_rs | ( | type(cube_t), intent(in), target | cube, |
type(cube_function_t), intent(inout) | cf, | ||
logical, intent(in), optional | in_device, | ||
logical, intent(in), optional | force_alloc | ||
) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.
Definition at line 1083 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_function_free_rs | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(inout) | cf | ||
) |
Deallocates the real space grid.
Definition at line 1134 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_function_allgather | ( | type(cube_t), intent(in) | cube, |
complex(real64), dimension(:,:,:), intent(out) | cf, | ||
complex(real64), dimension(:,:,:), intent(in), contiguous | cf_local, | ||
integer, dimension(3), intent(in), optional | order, | ||
logical, intent(in), optional | gatherfs | ||
) |
Definition at line 1174 of file cube_function.F90.
subroutine, public cube_function_oct_m::zmesh_to_cube | ( | class(mesh_t), intent(in) | mesh, |
complex(real64), dimension(:), intent(in), target, contiguous | mf, | ||
type(cube_t), intent(in), target | cube, | ||
type(cube_function_t), intent(inout) | cf | ||
) |
The next two subroutines convert a function between the normal mesh and the cube.
Note that the function in the mesh should be defined globally, not just in a partition (when running in parallel in real-space domains).
[in] | mf | function defined on the mesh, meshnp points |
Definition at line 1273 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_to_mesh | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
class(mesh_t), intent(in) | mesh, | ||
complex(real64), dimension(:), intent(out), target, contiguous | mf | ||
) |
[out] | mf | function defined on the mesh, meshnp points |
Definition at line 1473 of file cube_function.F90.
subroutine, public cube_function_oct_m::zmesh_to_cube_parallel | ( | class(mesh_t), intent(in) | mesh, |
complex(real64), dimension(:), intent(in), target | mf, | ||
type(cube_t), intent(in) | cube, | ||
type(cube_function_t), intent(inout) | cf, | ||
type(mesh_cube_parallel_map_t), intent(in) | map | ||
) |
The next two subroutines convert a function between the normal mesh and the cube in parallel.
[in] | mf | mf(meshnp) |
Definition at line 1550 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_to_mesh_parallel | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
class(mesh_t), intent(in) | mesh, | ||
complex(real64), dimension(:), intent(out) | mf, | ||
type(mesh_cube_parallel_map_t), intent(in) | map | ||
) |
[out] | mf | mf(meshnp) |
Definition at line 1641 of file cube_function.F90.
complex(real64) function, public cube_function_oct_m::zcube_function_surface_average | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf | ||
) |
This function calculates the surface average of any function.
Definition at line 1716 of file cube_function.F90.
subroutine, public cube_function_oct_m::zsubmesh_to_cube | ( | type(submesh_t), intent(in) | sm, |
complex(real64), dimension(:), intent(in), target | mf, | ||
type(cube_t), intent(in) | cube, | ||
type(cube_function_t), intent(inout) | cf | ||
) |
The next two subroutines convert a function between a submesh and the cube.
[in] | mf | function defined on the submesh. |
Definition at line 1764 of file cube_function.F90.
subroutine, public cube_function_oct_m::zcube_to_submesh | ( | type(cube_t), intent(in) | cube, |
type(cube_function_t), intent(in) | cf, | ||
type(submesh_t), intent(in) | sm, | ||
complex(real64), dimension(:), intent(out), target | mf | ||
) |
[out] | mf | function defined on the submesh. |
Definition at line 1806 of file cube_function.F90.